9 8 0 0 0 0 0 0 0 0 1 V2000 -1.0044 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3033 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8672 0.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0044 -3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5945 1.7023 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.1669 -0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3033 3.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7309 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5945 0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000123 > ALDRICH > E14403 > Ethyl alpha-bromoisobutyrate > 195.05 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 0.9761 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2749 -0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9761 3.6343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7261 -0.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5662 -1.3594 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.1466 1.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2749 -2.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7261 -2.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6462 0.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6462 -3.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5662 -0.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5662 -2.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 11 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000124 > ALDRICH > B69204 > 2-Bromoisobutyrophenone > 227.1 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 0.1211 -0.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1778 0.2286 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.1777 -1.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9354 -1.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1211 1.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000125 > ALDRICH > 135615 > 2-Bromo-2-methylpropane > 137.02 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 0.5646 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8636 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 0.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5646 -3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8636 3.2995 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.7353 -0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7352 -0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000143 > ALDRICH > 167185 > Methyl 2-bromopropionate > 167 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -0.8469 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 0.4879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 0.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8469 -2.2941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 2.2941 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.0457 -0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 5 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000144 > ALDRICH > E14551 > Ethyl 2-bromopropionate > 181.03 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.5585 0.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5585 1.4924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4485 1.4924 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.1414 -0.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5585 0.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2484 -0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2484 -0.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5585 -1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1414 -0.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4485 0.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0214 0.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000145 > ALDRICH > 471607 > 2-Bromopropiophenone > 213.07 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.7825 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.4096 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000149 > ALDRICH > B77401 > 2-Bromo-1-phenylpropane > 199.09 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 -0.6502 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 -1.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9432 -1.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9432 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2359 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 -1.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5288 -1.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5290 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8216 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8217 -1.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8216 1.9914 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -7.6846 -1.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6846 -0.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000150 > ALDRICH > 108499 > 2-Bromododecane > 249.23 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 0.5647 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8636 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 -0.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5647 3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1624 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8636 -3.2995 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.1624 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0342 -0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0342 -0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 5 8 1 0 0 0 0 7 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000155 > ALDRICH > E13814 > Ethyl 2-bromobutyrate > 195.05 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.6173 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 3 6 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000158 > ALDRICH > 267848 > 3-Bromopentane > 151.04 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 1.2124 -0.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0883 0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5053 0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 -3.2842 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.9433 -0.6985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0883 3.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 -0.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7981 0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6532 0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6532 -0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 3 7 1 0 0 0 0 5 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000159 > ALDRICH > E14608 > Ethyl 2-bromovalerate > 209.08 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.6173 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 4 6 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000160 > ALDRICH > B75204 > 2-Bromopentane > 151.04 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 0.5647 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8635 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5647 -3.2995 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.5977 -0.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4693 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4694 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3329 -0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3329 -0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 3 7 1 0 0 0 0 5 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000162 > ALDRICH > 249289 > Ethyl 2-bromohexanoate > 223.11 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 0.0037 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1397 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.6173 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7107 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1397 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 6 1 1 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000164 > ALDRICH > 292389 > 2-Bromoheptane > 179.1 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.3313 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.3313 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3313 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1563 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7452 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1563 -0.7120 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 5 6 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000167 > ALDRICH > 249777 > (Bromomethyl)trimethylsilane > 167.12 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.6173 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 2 6 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000170 > ALDRICH > 303208 > Bromomethyl acetate > 152.97 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.6949 0.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6049 -0.3994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2987 -0.5740 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.2987 0.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000171 > ALDRICH > 161756 > Bromomethyl methyl ether > 124.96 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 0.0586 -1.0394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2393 -0.2878 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.9057 -0.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5374 -1.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2393 1.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5374 0.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4961 -0.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9057 0.7791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5373 -0.2915 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 2 0 0 0 0 7 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000187 > ALDRICH > 235113 > Trimethylsilyl bromoacetate > 211.13 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -0.1135 -0.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1831 -1.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1135 1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4635 -2.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -2.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1831 0.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0057 1.8898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1831 2.1226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4635 1.0475 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 2 0 0 0 0 7 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000188 > ALDRICH > 124230 > tert-Butyl bromoacetate > 195.05 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.2497 -0.1028 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.5352 -0.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 0.7194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5377 -0.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2497 -0.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 2 0 0 0 3 5 1 0 0 0 5 6 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 5 6 M SBL 1 1 4 M SMT 1 OCH3 M SBV 1 4 -4.4416 4.6073 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000189 > ALDRICH > 157910 > Methyl bromoacetate > 152.97 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.6150 0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6825 -0.2555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8057 -0.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9798 0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8057 -1.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1426 0.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8842 -0.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9798 2.5304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1426 -2.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4794 -0.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4794 0.8903 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.4794 -1.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 7 11 1 0 0 0 0 9 12 2 0 0 0 0 10 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000190 > ALDRICH > 245631 > Benzyl bromoacetate > 229.07 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.7862 -0.2048 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 3 7 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000191 > ALDRICH > 133973 > Ethyl bromoacetate > 167 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.0200 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 0.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7219 -0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7219 1.0328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6819 -0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7219 1.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7219 -1.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6819 -1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -1.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7219 1.8578 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 2 4 2 0 1 5 1 0 2 6 1 0 3 7 1 0 5 8 2 0 8 9 1 0 7 9 2 0 6 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000195 > ALDRICH > 115835 > 2-Bromoacetophenone > 199.04 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 0.9802 0.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2791 -0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9802 3.6342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7301 -0.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5703 1.2785 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7301 -2.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1416 -3.5940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 -3.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5703 -0.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5697 -2.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5703 -2.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 10 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000196 > ALDRICH > 100854 > 2-Bromo-2'-methoxyacetophenone > 229.07 $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 3.1341 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4330 -0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1341 3.6343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 -0.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7162 1.2786 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 -2.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4962 0.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2874 -3.5941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4962 -3.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4162 -0.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7238 -2.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4162 -2.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2798 -3.5941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7162 -2.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000197 > ALDRICH > 199486 > 2-Bromo-2',4'-dimethoxyacetophenone > 259.1 $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 3.1341 0.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4329 -0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1341 3.6342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4237 -0.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7162 1.2785 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4237 -2.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4962 0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2873 -3.5940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4962 -3.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4162 -0.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7237 -2.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4162 -2.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2798 0.8026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7162 -0.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000198 > ALDRICH > 104582 > 2-Bromo-2',5'-dimethoxyacetophenone > 259.1 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 0.9802 2.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2791 1.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9802 5.4253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 1.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5703 3.0697 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 -0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 2.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 -1.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5703 1.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 -4.0216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5703 -0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2138 -5.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000199 > DiscoveryCPR > CPR0199 > 3'-METHOXYPHENACYL BROMIDE > 229.07 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 0.4185 -2.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4176 -3.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2991 -3.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4171 -4.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1318 -3.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1302 -4.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1315 -1.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -1.8866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 -2.2976 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.2991 -4.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4187 -5.6034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2942 -6.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 4 6 2 0 0 0 0 2 5 2 0 0 0 0 5 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 7 9 1 0 0 0 0 10 3 2 0 0 0 0 10 4 1 0 0 0 0 4 11 1 0 0 0 0 1 2 1 0 0 0 0 11 12 1 0 0 0 0 G 11 4 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 11 12 M SBL 1 1 10 M SDI 1 4 0.2100 -5.3200 0.6200 -5.3200 M SMT 1 OCH3 M SBV 1 10 0.0000 0.8300 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000201 > ALDRICH > 115665 > 2-Bromo-4'-methoxyacetophenone > 229.07 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 -3.7512 -2.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0501 -1.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7512 -5.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0409 -1.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3415 -2.9001 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 -2.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0409 0.8995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7991 -1.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7991 0.8995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5013 1.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4214 0.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5013 4.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3415 1.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4214 5.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3415 4.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 15 16 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000202 > ALDRICH > 101087 > 2-Bromo-4"'-phenylacetophenone > 275.14 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 1.9120 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2108 -0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9120 3.6343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2016 -0.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5020 1.2786 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.2016 -2.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7183 0.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7183 -3.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6384 -0.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6384 -2.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5020 -3.5941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000203 > ALDRICH > 159530 > 2-Bromo-4'-methylacetophenone > 213.07 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -0.3549 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6538 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5166 -0.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3549 3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9527 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6538 -3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3802 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2439 -0.9439 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.2439 -0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 3 7 1 0 0 0 0 5 8 1 0 0 0 0 7 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000204 > ALDRICH > E14578 > Ethyl bromopyruvate > 195.01 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -0.2088 -0.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5097 0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0841 0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2088 -3.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3646 -0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5097 3.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3646 1.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3646 -0.9395 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000206 > ALDRICH > 414131 > 1-Bromopinacolone > 179.05 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2048 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 3 6 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000207 > ALDRICH > 243299 > 1-Bromo-2-butanone , gradetech. 90 % > 151 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 0.8471 -1.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1459 -2.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8471 1.3068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0088 0.0242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0245 -2.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4371 -1.0488 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.2753 2.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4371 -1.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000208 > ALDRICH > 208809 > 1-Bromo-2,2-dimethoxypropane > 183.04 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.1922 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.9406 -0.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1437 -0.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000209 > ALDRICH > 249890 > 1-Bromo-2,2-dimethylpropane > 151.04 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 0.3590 1.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6578 2.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5127 2.7026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 -1.2989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 1.0567 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.9409 1.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7873 -2.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000213 > ALDRICH > 242500 > Bromoacetaldehyde dimethyl acetal > 169.02 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 0.6494 -1.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6494 -1.7634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6494 1.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5507 -1.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9426 -1.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9427 1.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1352 -0.6213 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 -1.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 1.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000214 > ALDRICH > 123986 > Bromoacetaldehyde diethyl acetal > 197.07 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -0.7170 0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0025 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 0.4104 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 3 6 1 0 0 0 6 7 1 0 0 0 1 8 1 0 0 0 8 9 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000220 > ALDRICH > 249416 > 2-Ethylhexyl bromide > 193.12 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 0.2137 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0851 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5206 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8195 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6828 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1185 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9898 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4173 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2810 -0.6615 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.2810 -0.4194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000221 > ALDRICH > 145785 > 1-Bromodecane > 221.18 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 -0.4355 0.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8632 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7426 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1621 0.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0414 0.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4610 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3403 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7678 0.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6391 0.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9303 -0.8229 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.9303 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000223 > ALDRICH > 245038 > 1-Bromoundecane > 235.2 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 0.2097 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0891 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5166 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8155 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6869 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1143 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9938 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4132 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2927 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7121 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5839 -0.6615 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 8.5839 -0.4194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000225 > ALDRICH > B65551 > 1-Bromododecane > 249.23 $$$$ 14 13 0 0 0 0 0 0 0 0 1 V2000 -4.6279 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9159 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9159 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6279 0.2055 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14 M SMT 1 CH3(CH2)11CH2Br M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000227 > ALDRICH > 192422 > 1-Bromotridecane > 263.26 $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 -4.9839 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2719 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5600 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5600 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2719 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9839 -0.2055 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SMT 1 CH3(CH2)12CH2Br M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000228 > ALDRICH > 195332 > 1-Bromotetradecane > 277.28 $$$$ 16 15 0 0 0 0 0 0 0 0 1 V2000 -5.3399 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6279 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9159 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9159 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6279 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3399 0.2055 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 1 16 M SMT 1 CH3(CH2)13CH2Br M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000229 > ALDRICH > 238333 > 1-Bromopentadecane > 291.31 $$$$ 17 16 0 0 0 0 0 0 0 0 1 V2000 -5.6959 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9839 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2719 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5600 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5600 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2719 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9839 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6959 -0.2055 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 2 16 17 M SMT 1 CH3(CH2)14CH2Br M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000230 > ALDRICH > 234451 > 1-Bromohexadecane > 305.34 $$$$ 19 18 0 0 0 0 0 0 0 0 1 V2000 0.2137 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0851 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5206 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8195 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6828 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1184 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9898 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4173 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2887 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7161 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5875 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0231 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8864 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3220 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1853 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6208 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4845 -0.6615 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 12.4845 -0.4194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000231 > ALDRICH > 199494 > 1-Bromooctadecane > 333.39 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.0867 1.5257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3856 0.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2064 0.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2871 1.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2064 -0.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5389 1.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 0.3835 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.5389 -1.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8714 0.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8714 -0.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 8 10 2 0 0 0 0 9 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000234 > ALDRICH > B75506 > beta-Bromophenetole > 201.06 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.7862 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2048 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 2 7 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000235 > ALDRICH > 137685 > 2-Bromoethyl acetate > 167 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -2.4932 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7787 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0667 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3548 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7812 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4932 0.2062 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000238 > ALDRICH > 456195 > 1-Bromo-2-(2-methoxyethoxy)ethane > 183.04 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.9802 1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2791 1.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 0.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5703 2.4565 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 -1.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6501 2.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6501 -2.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5703 0.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5703 -1.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 8 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000240 > ALDRICH > B65780 > (2-Bromoethyl)benzene > 185.06 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 5.2312 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8312 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9323 -3.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8705 -3.1000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.9313 -2.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 1 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000242 > ALDRICH > 249904 > 3,3-Dimethylallyl bromide > 149.03 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 -2.1430 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6933 0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3952 0.6247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4182 0.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7134 0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8247 0.4727 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0115 0.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 0.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8247 0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 -0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6933 -0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 1 3 2 0 2 4 2 0 3 5 1 0 6 8 1 0 5 7 1 0 4 8 1 0 1 9 1 0 1 10 1 0 2 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000243 > ALDRICH > 329118 > Geranyl bromide > 217.15 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.4316 0.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8673 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7308 -0.8229 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.7308 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000244 > ALDRICH > A29585 > Allyl bromide > 120.98 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.3394 0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3596 0.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3394 -0.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0615 2.0327 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 1.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0615 -0.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3596 -0.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3596 -1.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0615 -1.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -2.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 4 5 1 0 2 5 1 0 3 6 2 0 3 7 1 0 7 8 2 0 6 9 1 0 8 10 1 0 9 10 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000245 > ALDRICH > C81217 > 3-Bromo-1-phenyl-1-propene > 197.07 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 2.2886 -3.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6202 -3.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2011 -2.5949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7051 -4.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1229 -6.0315 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0355 -5.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0400 -3.7482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7105 -3.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 4 2 0 0 0 0 5 6 1 0 0 0 0 4 6 1 0 0 0 0 1 7 1 0 0 0 0 1 2 1 0 0 0 0 7 8 1 0 0 0 0 G 7 1 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 7 8 M SBL 1 1 5 M SDI 1 4 2.7000 -3.8200 2.8700 -3.4400 M SMT 1 OCH3 M SBV 1 5 -0.7500 0.3300 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000246 > FLUKA > 16505 > Methyl trans-4-bromo-2-butenoate > 179.01 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 0.3353 -0.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3666 -0.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3353 0.6060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0656 -0.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0343 -0.6060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4352 -0.1906 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.7362 -0.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7362 -0.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4352 -0.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 2 4 2 0 1 5 1 0 6 7 1 0 4 7 1 0 5 8 1 0 8 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000247 > ALDRICH > E13830 > Ethyl 4-bromocrotonate > 193.04 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.8236 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0014 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.7120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2346 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2346 0.7120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2346 0.7120 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 1 5 1 0 0 0 1 6 1 0 0 0 3 7 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000248 > ALDRICH > C86405 > Crotyl bromide > 135 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.2984 0.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0003 1.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 1.8796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2984 -2.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3072 0.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5904 0.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5904 2.1217 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000250 > ALDRICH > 242373 > Methyl 3-bromopropionate > 167 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 0.3548 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6536 -1.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5167 -1.8797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 2.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9527 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3803 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2439 -2.1216 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -5.2439 -1.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000251 > ALDRICH > 128163 > Ethyl 3-bromopropionate > 181.03 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.3629 1.4630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 0.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6685 0.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8429 1.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6685 -0.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0078 1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7490 0.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0078 -1.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3471 0.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3471 1.6319 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.3471 -0.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 9 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000256 > ALDRICH > P16303 > 3-Phenoxypropyl bromide > 215.09 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.3252 2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3691 1.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9189 2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3691 -1.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2802 2.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1915 0.7828 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.2802 -2.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1915 1.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1915 -1.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 8 10 2 0 0 0 0 9 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000257 > ALDRICH > B77207 > 1-Bromo-3-phenylpropane > 199.09 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.2062 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000258 > ALDRICH > 167851 > 4-Bromo-1-butene > 135 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -0.2945 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 -1.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 -2.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2945 2.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3114 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0216 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6101 -1.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8933 -2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8933 -0.3549 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000259 > ALDRICH > 167118 > Ethyl 4-bromobutyrate > 195.05 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.8201 1.5305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4773 0.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1176 0.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3873 1.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1176 -0.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4544 1.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2916 0.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4544 -1.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7912 0.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1959 1.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7912 -0.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7912 0.3848 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000262 > ALDRICH > 132543 > 4-Bromobutyl phenyl ether , 97 % > 229.11 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 0.2082 0.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 1.3955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6977 1.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8081 0.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6094 0.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1135 1.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8081 -1.3956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5154 1.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1135 0.2475 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000263 > ALDRICH > 227579 > 4-Bromobutyl acetate > 195.05 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 4.5604 -3.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1604 -3.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6800 -2.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1996 -3.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7193 -2.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2389 -3.2521 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000264 > ALDRICH > 253901 > 5-Bromo-1-pentene > 149.03 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -1.5933 0.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2945 1.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4568 1.8796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5933 -2.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 0.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8933 0.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3114 1.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6101 0.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8933 2.1217 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000265 > ALDRICH > M32607 > Methyl 5-bromovalerate > 195.05 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -0.0025 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8504 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1385 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8504 -0.6173 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 2 1 0 2 4 2 0 1 5 1 0 5 6 1 0 3 7 1 0 7 8 1 0 6 9 1 0 9 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000266 > ALDRICH > 129100 > Ethyl 5-bromovalerate > 209.08 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2062 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000267 > ALDRICH > 117811 > 1-Bromopentane > 151.04 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -2.1372 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4227 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7108 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1372 0.2048 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000269 > ALDRICH > 247219 > 6-Bromo-1-hexene > 163.06 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 -1.5973 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2984 -1.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4609 -2.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5973 2.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0004 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3326 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3072 -1.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1963 -2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6061 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9050 -1.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1963 -0.3549 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000270 > ALDRICH > 324728 > Ethyl 6-bromohexanoate > 223.11 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 2.1360 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 0.2055 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000271 > ALDRICH > B68240 > 1-Bromohexane > 165.07 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -0.4355 0.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8632 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7426 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1621 0.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0414 0.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4609 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3326 -0.8229 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.3326 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000273 > ALDRICH > B67570 > 1-Bromoheptane > 179.1 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 0.2138 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0851 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5207 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3839 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8196 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6827 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1185 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9821 -0.6615 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.9821 -0.4194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000275 > ALDRICH > 252301 > 8-Bromo-1-octene > 191.11 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 0.2138 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0851 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5207 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3839 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8196 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6827 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1185 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9821 -0.6615 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.9821 -0.4194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000276 > ALDRICH > 152951 > 1-Bromooctane > 193.12 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -3.2040 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 0.2055 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 10 1 2 3 4 5 6 7 8 9 10 M SMT 1 CH3(CH2)7CH2Br M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000278 > ALDRICH > B74607 > 1-Bromononane > 207.15 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.3682 -0.3589 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.9308 -1.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9872 -1.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3682 1.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2297 0.7111 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2297 -0.3636 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000503 > ALDRICH > 254460 > (Bromomethyl)chlorodimethylsilane > 187.54 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.8790 1.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1778 0.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4142 0.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 1.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4142 -0.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7467 1.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6692 0.4563 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.7467 -1.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0792 0.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0792 -0.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6692 -1.6264 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 8 10 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000617 > ALDRICH > 305111 > 4-Chlorophenyl 2-bromoethyl ether > 235.51 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.0214 1.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0214 0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7119 1.4237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7119 -0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7119 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0187 -1.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7119 -1.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7119 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0187 -2.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6718 2.2375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.6718 1.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 2 4 2 0 2 5 1 0 6 8 1 0 4 7 1 0 5 8 2 0 6 9 1 0 10 11 1 0 1 11 1 0 6 7 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000625 > ALDRICH > 101273 > 2-Bromo-4'-chloroacetophenone > 233.49 $$$$ 3 2 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.2055 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.2055 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 1 2 3 M SMT 1 CH2BrCl M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000880 > ALDRICH > 135267 > Bromochloromethane > 129.38 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.6463 0.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6544 -0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 -0.9394 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.9270 0.9394 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000962 > ALDRICH > 232750 > 1-Bromo-2-chloroethane > 143.41 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.2062 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2062 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000998 > ALDRICH > B62404 > 1-Bromo-3-chloropropane > 157.44 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.6464 -0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6545 0.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9392 0.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9472 -0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2197 -0.9394 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.2197 0.9394 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001010 > ALDRICH > B60800 > 1-Bromo-4-chlorobutane > 171.46 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 0.0040 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2947 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3028 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5936 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6017 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8929 -0.6615 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.8929 -0.6615 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001016 > ALDRICH > 241660 > 1-Bromo-5-chloropentane > 185.49 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -0.6503 0.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 -0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9433 -0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9433 0.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 0.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2361 -0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5166 -0.9394 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.5166 0.9394 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001019 > ALDRICH > 241652 > 1-Bromo-6-chlorohexane > 199.52 $$$$ 4 4 0 0 0 0 0 0 0 0 1 V2000 1.2863 -0.9216 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0114 -0.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2863 -0.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6488 0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001271 > ALDRICH > C117307 > Bromocyclopropane > 120.98 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 1.0883 1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 1.9878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3819 1.9878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0883 -0.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5102 1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8150 -0.4442 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0883 -1.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4552 -0.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8150 1.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4552 -1.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 7 10 1 0 0 0 0 8 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001322 > ALDRICH > 197297 > Ethyl 1-bromocyclobutanecarboxylate > 207.07 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.8861 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6138 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5309 -0.4749 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.5309 0.4749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 3 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001884 > ALDRICH > 242489 > Bromoacetonitrile > 119.95 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.4829 -0.2062 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7684 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0539 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6607 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4829 0.2055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 3 4 1 0 0 0 4 5 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 4 5 M SBL 1 1 3 M SMT 1 CN M SBV 1 3 -4.6784 2.9555 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001951 > ALDRICH > 109231 > 3-Bromopropionitrile > 133.97 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 4.6625 -3.3229 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.1821 -3.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7017 -3.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2213 -3.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7411 -3.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3390 -3.3224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 2 1 1 0 0 0 0 5 6 3 0 0 0 0 G 5 4 CN M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 5 6 M SBL 1 1 3 M SMT 1 CN M SBV 1 3 -0.5100 0.3000 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001971 > ALDRICH > B59802 > 4-Bromobutyronitrile , 97 % > 148 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -2.1973 0.2062 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4829 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7684 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0539 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6605 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3752 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1973 -0.2055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 5 6 1 0 0 0 6 7 3 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 6 7 M SBL 1 1 5 M SMT 1 CN M SBV 1 5 -5.1190 2.9484 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001976 > ALDRICH > B83207 > 5-Bromovaleronitrile > 162.03 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -2.8480 -0.4111 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 0.4111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 3 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 9 1 2 3 4 5 6 7 8 9 M SMT 1 BrCH2(CH2)4CH2CN M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001982 > ALDRICH > 242470 > 7-Bromoheptanenitrile > 190.08 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.2063 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 4 6 2 0 0 0 3 7 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00002587 > ALDRICH > 238341 > Bromopyruvic acid > 166.96 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -1.0717 -0.2048 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00002678 > ALDRICH > 259357 > Bromoacetic acid > 138.95 $$$$ 14 13 0 0 0 0 0 0 0 0 1 V2000 -3.1824 0.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8834 0.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5845 0.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0134 0.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 0.1099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0134 2.3599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4815 0.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4815 -1.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1824 -2.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8834 -1.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5845 -2.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0134 -2.1399 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00002732 > ALDRICH > 165816 > 11-Bromoundecanoic acid > 265.19 $$$$ 15 14 0 0 0 0 0 0 0 0 1 V2000 3.5600 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2719 0.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 0.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2719 -0.8221 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.5600 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5600 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 2 1 1 0 0 0 1 3 2 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00002738 > ALDRICH > 200999 > 12-Bromododecanoic acid > 279.21 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.6173 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 4 6 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00002763 > ALDRICH > 101281 > 3-Bromopropionic acid > 152.97 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.7862 -0.2048 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 5 7 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00002817 > ALDRICH > 258083 > 4-Bromobutyric acid > 167 $$$$ 4 3 0 0 0 0 0 0 0 0 1 V2000 -0.4376 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8632 -0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7182 -0.8191 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.7182 0.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00002827 > ALDRICH > B65586 > 2-Bromoethanol > 124.96 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 0.2138 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0850 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5127 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3762 -0.6615 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.3762 -0.4194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00002942 > SIAL > 167169 > 3-Bromo-1-propanol > 138.99 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -0.4376 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8631 -0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7305 -0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0233 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4489 -0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3039 -0.8191 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.3039 0.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00002983 > ALDRICH > 186481 > 6-Bromo-1-hexanol > 181.07 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -1.1378 0.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 -0.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7064 -0.6378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0463 -0.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3129 0.6378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6869 -0.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 -0.0752 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 4 6 1 0 6 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003214 > ALDRICH > 226122 > 2-Bromomethyl-1,3-dioxolane > 167 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -1.0717 -0.6348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4043 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 0.6348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7391 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3102 -0.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0247 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7391 -0.5623 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 6 2 1 0 7 6 1 0 8 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003216 > ALDRICH > 230995 > 2-(2-Bromoethyl)-1,3-dioxolane > 181.03 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -1.7547 -0.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7547 0.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0414 0.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 0.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 -0.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0414 -1.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4512 0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9295 -0.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4512 -0.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7091 1.1360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7547 -0.3137 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 4 7 1 0 7 8 1 0 8 9 1 0 5 9 1 0 7 10 1 0 8 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003798 > FLUKA > 96533 > 2-Bromo-1-indanol > 213.07 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003819 > ALDRICH > 135194 > Bromocyclohexane > 163.06 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 2.9003 0.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1992 -0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9003 3.6342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1978 -0.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4903 1.2785 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1978 -2.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6502 -0.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 -3.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6502 -2.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5703 0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5703 -3.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4903 -0.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4903 -2.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 13 14 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00004109 > ALDRICH > 105120 > 2-Bromo-2'-acetonaphthone > 249.1 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.6421 -0.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1829 -0.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1565 -0.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9729 0.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2296 0.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5137 0.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6973 -0.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1565 0.9810 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 2 1 0 0 0 6 8 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00004149 > ALDRICH > C99701 > Bromocycloheptane > 177.08 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.0869 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9406 -0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2261 -0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.9090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00004168 > ALDRICH > 306851 > 2-Bromo-2-methylpropionic acid > 167 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -0.0039 -0.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2969 0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2969 0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0039 -3.2842 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.1517 -0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2969 3.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2969 3.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1517 -0.6985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00004210 > ALDRICH > 251003 > 2-Bromo-3-methylbutyric acid > 181.03 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 0.6535 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6454 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6535 -3.2995 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.5171 0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6454 3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5171 -0.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00004211 > ALDRICH > 241199 > 2-Bromopropionic acid > 152.97 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -0.6504 -0.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9433 0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6504 -3.2842 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.9432 -0.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9433 3.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7982 -0.6985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9432 -3.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 0.6985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00004213 > ALDRICH > B81204 > Bromosuccinic acid > 196.98 $$$$ 19 18 0 0 0 0 0 0 0 0 1 V2000 11.3175 -1.7625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8371 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3568 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8371 -0.8646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3175 -2.3604 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.0664 -1.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5842 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1020 -1.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6198 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1376 -1.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6554 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1732 -1.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6911 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2089 -1.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7267 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2445 -1.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7623 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2801 -1.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7979 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 2 4 2 0 0 0 0 1 5 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00004215 > ALDRICH > 238422 > 2-Bromohexadecanoic acid > 335.32 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.0284 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 4 6 2 0 0 0 3 7 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00004216 > ALDRICH > 147877 > 2-Bromobutyric acid > 167 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.7849 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.0284 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 4 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00004217 > ALDRICH > 265136 > 2-Bromovaleric acid > 181.03 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -1.3028 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6017 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0039 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3028 -3.2995 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.6017 3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4654 -0.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3028 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6017 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4654 -0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00004218 > ALDRICH > 242837 > 2-Bromohexanoic acid > 195.05 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 7.5956 -3.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0760 -3.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5582 -3.3094 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0760 -2.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5582 -3.9052 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.4531 -3.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9709 -3.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4888 -3.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0066 -3.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5244 -3.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0422 -3.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 11 1 0 0 0 0 3 5 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 G 11 3 CH3(CH2)4CH^2 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 6 7 8 9 10 11 M SBL 1 1 4 M SMT 1 CH3(CH2)4CH^2 M SBV 1 4 0.5100 -0.3000 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00004219 > ALDRICH > 280348 > 2-Bromooctanoic acid > 223.11 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.0717 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.2339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 -1.2339 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 3 5 2 0 0 0 2 6 1 0 0 0 6 7 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00004259 > ALDRICH > 212970 > 2-(Bromomethyl)acrylic acid > 164.99 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -1.5085 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2097 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8074 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0891 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8074 2.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6792 -1.8797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3879 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -2.1217 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00004414 > ALDRICH > 158410 > 5-Bromovaleric acid , 97 % > 181.03 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -0.8672 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 -1.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4397 -1.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4649 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7385 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4649 2.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3285 -2.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0374 -1.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3285 -0.3549 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00004422 > ALDRICH > 150452 > 6-Bromohexanoic acid > 195.05 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 -0.8631 -1.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4376 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7304 -1.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4488 -1.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0233 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7417 -0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3162 -1.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7417 1.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5966 -1.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5966 -0.3532 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00004430 > ALDRICH > 257583 > 8-Bromooctanoic acid > 223.11 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -0.8632 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4355 -1.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7267 -2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8632 2.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7267 -0.3549 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00004529 > ALDRICH > 238430 > 1-Bromo-2-propanol > 138.99 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.1497 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 3 6 1 0 3 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00004683 > ALDRICH > 309559 > 3-Bromo-2,2-dimethyl-1-propanol > 167.04 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -1.4289 0.2048 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 3 6 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00004711 > ALDRICH > 226130 > 3-Bromo-1,2-propanediol > 154.99 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 -4.2868 -0.2062 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0