20 22 0 0 0 0 0 0 0 0 1 V2000 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -1.2375 0.0000 C 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 2 6 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 2 2 0 0 0 4 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 4 1 0 0 0 3 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 3 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000120 > ALDRICH > T83607 > Bromotriphenylmethane > 323.23 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.8666 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.8743 -0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8742 -0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8743 -1.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8645 0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8742 -1.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8646 0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8645 -1.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8507 -0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8646 -1.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8507 -0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8507 -1.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8507 -1.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 2 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 12 14 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000134 > ALDRICH > B65403 > Bromodiphenylmethane > 247.13 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 -0.6503 0.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 -0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6503 3.2843 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.3447 -0.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 -3.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3448 0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3447 -2.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2560 0.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2560 -0.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3448 2.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2560 -3.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1670 -0.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1670 0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2560 3.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1670 -2.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1670 2.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 11 15 2 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 14 16 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000136 > ALDRICH > 258156 > Desyl bromide > 275.14 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.4265 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2354 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000139 > ALDRICH > 238104 > (1-Bromoethyl)benzene > 185.06 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.9301 1.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2298 0.4478 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0435 0.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0435 -0.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1367 1.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1367 -1.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2299 0.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2299 -0.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 2 0 0 0 0 6 8 2 0 0 0 0 7 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000172 > ALDRICH > B17905 > Benzyl bromide > 171.03 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.3540 -0.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3768 -1.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3537 0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0586 0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0527 -1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 -1.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0586 -0.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3479 1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3654 1.4324 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 2 0 1 4 1 0 5 7 2 0 2 6 2 0 3 7 1 0 3 8 1 0 5 6 1 0 8 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000174 > ALDRICH > B83401 > 2-Methylbenzyl bromide > 185.06 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 1 8 1 0 0 0 7 9 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000177 > ALDRICH > B83509 > 3-Methylbenzyl bromide > 185.06 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -0.0216 1.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0216 1.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0444 -1.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0444 -0.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7463 0.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6604 0.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6604 -0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7463 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6803 2.2317 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0444 -2.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6575 -1.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7463 -1.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 4 1 0 4 7 2 0 2 5 1 0 2 6 2 0 6 7 1 0 5 8 2 0 1 9 1 0 3 10 1 0 3 11 1 0 3 12 1 0 4 8 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000180 > ALDRICH > 270768 > 4-tert-Butylbenzyl bromide > 227.14 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.6948 0.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7177 -0.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0129 0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7119 -0.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0129 -1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7177 0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0071 1.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7063 1.8449 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0158 -1.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 2 0 4 6 2 0 2 5 2 0 3 6 1 0 3 7 1 0 4 5 1 0 7 8 1 0 9 5 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000181 > DiscoveryCPR > CPR0181 > 4-METHYLBENZYL BROMIDE > 185.06 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -0.7132 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7105 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7105 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 1.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7134 1.8550 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 0.6202 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4267 -1.0298 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -1.8550 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4267 -1.0298 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4267 0.6202 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 1 0 5 9 1 0 4 10 1 0 3 11 1 0 2 12 1 0 1 13 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000299 > ALDRICH > 101052 > 2,3,4,5,6-Pentafluorobenzyl bromide > 260.99 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.0025 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8236 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 1 7 1 0 2 8 1 0 8 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000324 > ALDRICH > 209511 > 2-Fluorobenzyl bromide > 189.02 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.4416 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.2070 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.2070 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 5 9 1 0 0 0 1 10 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000329 > ALDRICH > 264431 > 2,6-Difluorobenzyl bromide > 207.02 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.0025 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.8236 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.2361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 7 8 1 0 6 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000340 > ALDRICH > F7504 > 3-Fluorobenzyl bromide > 189.02 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 0.6832 1.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0243 1.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 0.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6948 0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7004 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0301 -0.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7004 -0.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6975 -0.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0129 -1.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 6 8 1 0 4 7 1 0 5 8 2 0 6 9 1 0 6 7 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000359 > ALDRICH > 209538 > 4-Fluorobenzyl bromide > 189.02 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 1.2761 1.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5773 1.2283 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0614 3.3317 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4908 3.3317 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0926 1.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0926 -0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2423 2.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2423 -1.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5773 1.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2423 -2.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5773 -0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3449 -3.3317 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000395 > ALDRICH > 290556 > 3-(Trifluoromethyl)benzyl bromide > 239.03 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 5.1784 -6.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1784 -6.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -7.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6021 -6.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6021 -6.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -5.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -4.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6050 -4.4922 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -8.2022 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7139 -8.2022 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -9.0244 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0695 -8.2022 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 3 9 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 G 9 3 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 6 M SDI 1 4 5.6800 -7.9200 6.0900 -7.9200 M SMT 1 CF3 M SBV 1 6 0.0000 0.8300 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000403 > ALDRICH > 290564 > 4-(Trifluoromethyl)benzyl bromide > 239.03 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.0705 0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.5153 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 0.7222 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 5 7 1 0 6 8 1 0 8 9 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 8 M SMT 1 CH2Br M SBV 1 8 -0.3560 -0.6166 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000566 > ALDRICH > 252255 > 2-Chlorobenzyl bromide > 205.48 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.7117 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7117 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 1.4424 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4253 0.2076 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 0.2076 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 1 0 5 9 1 0 1 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000577 > ALDRICH > 100307 > 2,6-Dichlorobenzyl bromide , 97 % > 239.92 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.0700 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3567 1.4424 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -1.4424 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 1 0 4 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000597 > ALDRICH > 136727 > 3-Chlorobenzyl bromide > 205.48 $$$$ 14 16 0 0 0 0 0 0 0 0 1 V2000 -1.7715 1.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0264 0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4744 -0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -0.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9645 1.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -0.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4744 -0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0264 0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7715 1.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9645 1.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.3538 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 9 1 0 7 14 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001133 > ALDRICH > B66604 > 9-Bromofluorene > 245.11 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 2.8195 -5.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1176 -5.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5243 -5.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2289 -5.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8195 -6.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5243 -6.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1176 -6.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8152 -4.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2385 -3.7481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -5.7458 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 3 6 2 0 0 0 0 2 7 1 0 0 0 0 5 7 2 0 0 0 0 1 8 1 0 0 0 0 2 1 2 0 0 0 0 8 9 3 0 0 0 0 1 3 1 0 0 0 0 4 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001794 > ALDRICH > 144711 > 2-(Bromomethyl)benzonitrile > 196.04 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 2.8195 -5.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1176 -5.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5243 -5.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8195 -6.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5243 -6.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1176 -6.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8152 -4.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2385 -3.7481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2333 -6.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9458 -6.5417 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3 5 2 0 0 0 0 2 6 1 0 0 0 0 4 6 2 0 0 0 0 1 7 1 0 0 0 0 2 1 2 0 0 0 0 7 8 3 0 0 0 0 1 3 1 0 0 0 0 5 9 1 0 0 0 0 4 5 1 0 0 0 0 9 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001809 > ALDRICH > 145610 > 3-(Bromomethyl)benzonitrile > 196.04 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 5.2126 -6.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2126 -7.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9259 -8.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6364 -7.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6364 -6.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9259 -6.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9259 -9.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6393 -9.4126 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.9246 -5.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9232 -4.8763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 6 9 1 0 0 0 0 1 2 2 0 0 0 0 9 10 3 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001829 > ALDRICH > 144061 > 4-(Bromomethyl)benzonitrile > 196.04 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.0129 0.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0044 1.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7063 0.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7034 -0.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7148 -0.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0102 -0.8063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0158 -1.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6946 -2.0499 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7148 2.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7148 2.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 1 4 1 0 2 5 1 0 4 6 2 0 6 7 1 0 5 7 2 0 8 7 1 0 8 9 1 0 3 10 2 0 3 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00002567 > ALDRICH > 159549 > 4-(Bromomethyl)benzoic acid > 215.04 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 -2.1386 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1386 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7149 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7149 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0016 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7091 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7091 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0016 0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4224 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1386 0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 5 10 1 0 9 11 1 0 11 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00004123 > ALDRICH > 143677 > 2-(Bromomethyl)naphthalene > 221.09 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.1898 0.7748 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4498 0.7748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4498 -0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2599 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7999 0.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8701 0.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4101 -0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8701 -0.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7999 -0.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1898 -0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2599 -0.0051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 3 2 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00004206 > ALDRICH > B75859 > alpha-Bromophenylacetic acid > 215.04 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 4.6172 -6.6799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6172 -7.5049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3305 -7.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0409 -7.5049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0409 -6.6799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3305 -6.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3305 -5.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0438 -5.0326 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -6.2674 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7542 -5.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4662 -6.6785 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 5 9 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 G 9 5 NO2 M CHG 2 9 1 11 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 9 10 11 M SBL 1 1 7 M SDI 1 4 6.6100 -6.5800 6.4000 -6.2200 M SMT 1 NO2 M SBV 1 7 -0.7200 -0.4100 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00007184 > DiscoveryCPR > CPR7184 > 2-NITROBENZYL BROMIDE > 216.03 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.9310 1.4107 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3694 2.1580 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.2358 2.1580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 0.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0972 -0.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9635 -0.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0972 -1.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9635 -1.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0088 -2.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 -2.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2358 -1.3760 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00007271 > ALDRICH > 222518 > 3-Nitrobenzyl bromide > 216.03 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 5.1273 -6.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1273 -7.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8406 -7.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5552 -7.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5552 -6.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8406 -5.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8406 -5.1180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5539 -4.7055 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.4069 -7.6084 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6819 -7.2028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4190 -8.4403 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.2768 -5.9362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2723 -5.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 2 9 1 0 0 0 0 5 12 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 12 13 1 0 0 0 0 G 9 2 NO2 G 12 5 OCH3 M CHG 2 9 1 11 -1 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 3 9 10 11 M SBL 1 1 5 M SDI 1 4 4.5300 -7.2900 4.7400 -7.6400 M SMT 1 NO2 M SBV 1 5 0.7200 0.4200 M SAL 2 2 12 13 M SBL 2 1 6 M SDI 2 4 7.1300 -6.2500 6.9200 -5.8900 M SMT 2 OCH3 M SBV 2 6 -0.7200 -0.4200 M SDS EXP 2 1 2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00007329 > ALDRICH > 163481 > 2-Methoxy-5-nitrobenzyl bromide > 246.06 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 5.2039 -7.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8914 -6.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4876 -6.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8829 -5.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1895 -5.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1781 -4.7409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4791 -5.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5933 -5.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3125 -5.9327 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.2155 -7.9896 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9276 -8.4007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5034 -8.4007 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 5 7 1 0 0 0 0 5 6 1 0 0 0 0 3 7 2 0 0 0 0 5 4 2 0 0 0 0 8 4 1 0 0 0 0 8 9 1 0 0 0 0 1 10 1 0 0 0 0 2 1 2 0 0 0 0 1 3 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 G 10 1 NO2 M CHG 2 10 1 12 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 10 11 12 M SBL 1 1 8 M SDI 1 4 5.0000 -7.7100 5.4100 -7.7000 M SMT 1 NO2 M SBV 1 8 -0.0100 0.8200 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00007340 > ALDRICH > 162906 > 2-Hydroxy-5-nitrobenzyl bromide > 232.035 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 5.0831 -6.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0831 -6.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7923 -5.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5113 -6.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5113 -6.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7923 -7.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7923 -4.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5082 -4.5107 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.7923 -8.2282 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.5085 -8.6393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0803 -8.6393 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 6 9 1 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 G 8 7 CN G 9 6 NO2 M CHG 2 9 1 11 -1 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 1 8 M SBL 1 1 5 M SDI 1 4 6.3700 -4.8200 6.1600 -4.4600 M SMT 1 CN M SBV 1 5 -0.7100 -0.4200 M SAL 2 3 9 10 11 M SBL 2 1 6 M SDI 2 4 5.5800 -7.9500 5.9900 -7.9500 M SMT 2 NO2 M SBV 2 6 0.0000 0.8200 M SDS EXP 2 1 2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00007373 > ALDRICH > N13054 > 4-Nitrobenzyl bromide > 216.03 $$$$ 18 19 0 0 0 0 0 0 0 0 1 V2000 -1.1270 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5559 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5559 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.8243 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4150 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4150 -1.6493 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 7 2 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 10 9 2 0 0 0 9 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 10 1 0 0 0 8 15 2 0 0 0 8 16 2 0 0 0 1 17 1 0 0 0 17 18 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00007552 > ALDRICH > 304123 > 1-Bromomethyl-2-[(phenylsulfonyl)methyl]benzene > 325.22 $$$$ 21 22 0 0 0 0 0 0 0 0 1 V2000 0.0201 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1258 -0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 -0.4112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4239 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0201 0.8266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1688 -1.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8707 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 -0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4239 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8304 0.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4239 0.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1285 -0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1285 1.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8304 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2745 0.8266 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.5323 1.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8707 0.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5726 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5726 1.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2745 0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2745 0.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 1 3 1 0 3 4 1 0 1 5 2 0 2 6 2 0 2 7 1 0 1 8 1 0 8 9 1 0 10 14 2 0 9 11 1 0 9 12 2 0 11 13 2 0 12 14 1 0 15 16 1 0 10 16 1 0 7 17 2 0 7 18 1 0 17 19 1 0 18 20 2 0 20 21 1 0 10 13 1 0 19 21 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00009632 > ALDRICH > 317543 > Phenacyl 4-(bromomethyl)phenylacetate > 347.2 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 1.4543 1.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7553 1.0650 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.4879 1.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4879 -0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6023 1.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6023 -0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6925 1.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6023 -1.8896 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6925 -0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7553 -0.6298 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 2 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00009889 > ALDRICH > 264458 > 3,4-Difluorobenzyl bromide > 207.02 $$$$ 16 16 0 0 0 0 0 0 0 0 1 V2000 5.3061 -6.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3061 -7.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0194 -7.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7339 -7.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7339 -6.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0194 -6.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0194 -5.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7327 -4.9016 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.5841 -7.8072 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0119 -8.5276 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8637 -8.2308 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1605 -7.0868 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4543 -7.8031 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1765 -8.2234 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0339 -8.5211 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8780 -7.0826 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7 8 1 0 0 0 0 2 9 1 0 0 0 0 4 13 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 G 9 2 CF3 G 13 4 CF3 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 4 9 10 11 12 M SBL 1 1 2 M SDI 1 4 4.7100 -7.4800 4.9200 -7.8300 M SMT 1 CF3 M SBV 1 2 0.7200 0.4300 M SAL 2 4 13 14 15 16 M SBL 2 1 3 M SDI 2 4 7.1000 -7.8300 7.3100 -7.4800 M SMT 2 CF3 M SBV 2 3 -0.7200 0.4300 M SDS EXP 2 1 2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00009905 > ALDRICH > 263397 > 3,5-Bis(trifluoromethyl)benzyl bromide > 307.03 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.5298 -1.4919 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5298 -1.4119 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8699 -0.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8699 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0599 -1.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 -0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0599 0.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0599 1.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8649 1.4919 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 4 1 0 0 0 0 3 4 2 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00010304 > ALDRICH > 290319 > 3,5-Difluorobenzyl bromide > 207.02 $$$$ 16 16 0 0 0 0 0 0 0 0 1 V2000 0.1469 0.6378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1469 -0.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6629 -0.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4628 -0.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4628 0.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6629 1.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6629 1.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4469 2.3169 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.6629 -1.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5918 -1.3870 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2669 -1.3870 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6629 -2.3169 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 1.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3228 1.8118 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2518 0.2028 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5918 1.4718 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00010306 > ALDRICH > 290149 > 2,4-Bis(trifluoromethyl)benzyl bromide > 307.03 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 0.3108 1.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3108 2.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 0.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2591 1.1817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -1.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2591 -0.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1561 -0.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2591 -0.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1561 -0.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1733 -2.2676 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -1.9180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 3 4 1 0 1 5 1 0 6 10 1 0 4 7 2 0 4 8 1 0 7 9 1 0 8 10 2 0 11 12 1 0 6 12 1 0 6 9 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00010632 > ALDRICH > 310417 > 4-(Bromomethyl)phenylacetic acid , 97 % > 229.07 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 1.4543 1.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7553 0.4466 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.4879 0.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4879 -0.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6023 1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 -1.2483 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6023 -1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6925 0.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6925 -0.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7553 -1.2483 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 7 9 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00011649 > ALDRICH > 264415 > 2,4-Difluorobenzyl bromide > 207.02 $$$$ 11 12 0 0 0 0 0 0 0 0 1 V2000 -1.7617 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7617 -0.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0473 -1.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3328 -0.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3328 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0473 0.5465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4518 -0.9459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9367 -0.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4518 0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 1.1035 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.7617 -0.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 1 0 9 5 1 0 9 10 1 0 8 11 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00012320 > ALDRICH > 303453 > 3-Bromo-2-coumaranone > 213.03 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 0.6895 -0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0153 0.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6895 -0.8152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 -0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0153 1.2104 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4218 0.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 -0.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4218 -1.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1266 -0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1266 -0.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4145 0.4168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1266 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 2 4 1 0 2 5 1 0 4 6 2 0 4 7 1 0 7 8 2 0 6 9 1 0 8 10 1 0 9 10 2 0 1 11 1 0 11 12 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 11 12 M SBL 1 1 11 M SMT 1 OCH3 M SBV 1 11 -11.4030 8.6849 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00013535 > ALDRICH > 365270 > Methyl alpha-bromophenylacetate > 229.07 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -4.9215 1.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9215 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6225 -0.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3235 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3235 1.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6225 2.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0245 -0.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2744 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0245 -1.8299 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.5734 -0.3299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2744 1.9199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8724 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1714 -0.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00013536 > ALDRICH > 554065 > Ethyl alpha-bromophenylacetate > 243.1 $$$$ 10 10 0 0 0 1 V2000 -0.9690 -0.4621 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7000 0.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0.1000 -1.4069 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3241 -0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0.6414 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 1.4621 -0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4172 0.0034 0.0000 Br 0 0 0 0 0 0 0 0 0 1.7345 0.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0.9138 2.8103 0.0000 C 0 0 0 0 0 0 0 0 0 2.5448 -1.8724 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 3 6 1 0 0 0 4 7 1 0 0 0 5 8 1 0 0 0 5 9 1 0 0 0 6 10 1 0 0 0 6 8 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00013539 > DiscoveryCPR > CPS3539 > 3,5-DIMETHYLBENZYL BROMIDE > 199.09 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -1.0391 1.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3387 2.3585 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0391 0.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1414 -0.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2197 -0.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1929 0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1414 -1.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2197 -1.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3387 -0.3497 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8874 1.5153 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4985 1.5153 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0391 -2.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 2 0 0 0 0 8 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00013558 > ALDRICH > 254967 > 2-(Trifluoromethyl)benzyl bromide > 239.03 $$$$ 14 15 0 0 0 1 V2000 0.0414 -0.0690 0.0000 C 0 0 0 0 0 0 0 0 0 1.3448 -0.0069 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5207 -1.2345 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6586 1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 1.9276 1.1586 0.0000 C 0 0 0 0 0 0 0 0 0 2.0621 -1.0862 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8241 -1.3138 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9621 0.9241 0.0000 C 0 0 0 0 0 0 0 0 0 3.2310 1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 3.3621 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5414 -0.2241 0.0000 C 0 0 0 0 0 0 0 0 0 3.9586 0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8448 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 -4.5655 0.7724 0.0000 Br 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 2 0 0 0 3 7 1 0 0 0 4 8 2 0 0 0 5 9 2 0 0 0 6 10 1 0 0 0 7 11 2 0 0 0 9 12 1 0 0 0 11 13 1 0 0 0 13 14 1 0 0 0 8 11 1 0 0 0 10 12 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00017869 > DiscoveryCPR > CPS7869 > 4-BROMOMETHYLBIPHENYL > 247.134 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 1.1599 -1.3918 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.1599 -0.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3599 0.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4399 -0.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4399 -0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3599 -1.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1599 -0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3599 0.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4449 1.4418 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 8 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00019016 > ALDRICH > 427691 > 3-Iodobenzyl bromide > 296.93 $$$$ 14 15 0 0 0 0 1 V2000 -1.7699 -2.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5149 -1.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7303 -1.2133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7303 -0.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5149 -0.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9998 -0.8008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0629 0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6908 -0.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3583 0.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 1.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9395 1.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6931 1.2159 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.5183 1.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1491 0.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 2 0 0 0 0 7 14 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00020808 > DiscoveryCPR > CPT0808 > 3-[4-(BROMOMETHYL)PHENYL]-5-METHYL-1,2,4-OXADIAZOLE > 253.098 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 1.8254 0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1229 -0.2555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8254 2.5304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6402 -0.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8192 0.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6402 -1.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6965 0.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6965 -2.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0332 -0.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0332 -1.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2240 -2.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8192 -1.5136 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00032453 > ALDRICH > 348155 > Methyl 4-(bromomethyl)benzoate > 229.07 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 -0.0199 0.7147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0199 -0.1018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7563 0.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7964 0.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7563 -0.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2462 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2462 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7964 -0.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0428 1.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0027 1.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0027 -1.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0656 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0656 0.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0428 -1.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4698 -1.7375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 2 5 1 0 3 6 1 0 4 7 1 0 2 8 1 0 4 9 2 0 3 10 2 0 5 11 1 0 6 12 1 0 7 13 1 0 8 14 1 0 11 15 1 0 8 7 2 0 6 5 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00036951 > SIAL > B4380 > Bromobimane > 271.11 $$$$ 20 20 0 0 0 0 0 0 0 0 1 V2000 -0.6088 0.9612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6518 0.1877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1218 -0.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1218 1.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3823 1.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3823 -0.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6115 0.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8723 0.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3653 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4082 1.9782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6258 1.9782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1789 -1.0328 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6688 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6858 0.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4253 0.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4396 -0.9928 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 -0.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9181 -1.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9524 -1.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6858 -0.7092 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 1 5 1 0 2 6 1 0 4 7 1 0 5 8 1 0 3 9 1 0 4 10 2 0 5 11 2 0 9 12 1 0 6 13 1 0 8 14 1 0 7 15 1 0 13 16 1 0 12 17 1 0 12 18 1 0 12 19 1 0 7 3 2 0 6 8 2 0 M CHG 2 12 1 20 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00036953 > FLUKA > 71028 > Monobromo(trimethylammonio)bimane bromide > 409.12 $$$$ 21 23 0 0 0 0 0 0 0 0 1 V2000 3.2689 -3.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7904 -2.7539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7904 -4.0688 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0653 -2.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0084 -3.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0910 -3.4041 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0084 -2.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4693 -2.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4838 -4.4585 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.4723 -4.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4693 -1.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3091 -4.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3091 -2.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2887 -2.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2887 -1.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6102 -3.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6102 -2.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6982 -2.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6963 -3.4110 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.2769 -4.1272 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5192 -3.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 4 2 0 0 0 0 3 5 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 6 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 15 18 1 0 0 0 0 12 16 2 0 0 0 0 13 17 2 0 0 0 0 14 18 2 0 0 0 0 7 5 2 0 0 0 0 16 17 1 0 0 0 0 11 15 2 0 0 0 0 14 19 1 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 M CHG 2 19 1 20 -1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00037978 > SIGMA > B4651 > 3-Bromo-3-methyl-2-(2-nitrophenylthio)-3H-indole > 363.23 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.3085 -0.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3085 -1.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0095 -2.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2894 -1.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2894 -0.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0095 0.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0095 2.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2894 2.9849 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.6074 0.7349 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5885 0.7349 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00040126 > ALDRICH > 539090 > 2-CHLORO-6-FLUOROBENZYL BROMIDE > 223.47 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.5189 0.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5189 -0.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2199 -1.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0789 -0.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0789 0.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2199 1.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2199 -3.0149 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2199 2.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0789 3.7349 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00040714 > DiscoveryCPR > CPV0714 > 4-CHLOROBENZYL BROMIDE > 205.48 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 4.9908 -2.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9908 -3.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5104 -3.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0300 -3.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0300 -2.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5104 -2.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5496 -2.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0693 -2.5604 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.5104 -4.0583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4730 -3.4594 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 7 1 0 0 0 0 3 9 1 0 0 0 0 2 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00041363 > ALDRICH > 681997 > 3,4-Dichlorobenzyl bromide > 239.92 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0705 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.2062 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.4423 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 4 8 1 0 6 9 1 0 9 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00042470 > DiscoveryCPR > CPV2470 > 2-FLUORO-3-METHYLBENZYL BROMIDE, 95% > 203.053 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0700 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3567 1.4424 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0671 0.2076 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -1.4424 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 1 0 5 9 1 0 4 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00042488 > ALDRICH > 265314 > 2,3-Difluorobenzyl bromide > 207.02 $$$$ 10 10 0 0 0 1 V2000 0.8621 -0.0690 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3517 -0.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0.8379 1.3724 0.0000 C 0 0 0 0 0 0 0 0 0 2.1241 -0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6103 -0.1069 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3379 -2.2276 0.0000 F 0 0 0 0 0 0 0 0 0 -0.4034 2.0759 0.0000 C 0 0 0 0 0 0 0 0 0 3.3621 -0.0241 0.0000 Br 0 0 0 0 0 0 0 0 0 -1.6379 1.3276 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8448 -0.8276 0.0000 Cl 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 5 10 1 0 0 0 7 9 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00042503 > DiscoveryCPR > CPV2503 > 3-CHLORO-2-FLUOROBENZYL BROMIDE > 223.471 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 -2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 5 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 10 15 2 0 7 16 2 0 17 18 1 0 18 13 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00042958 > ALDRICH > 444650 > 2-Bromomethyl-anthraquinone > 301.13 $$$$ 12 13 0 0 0 1 V2000 -0.5897 0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3897 -0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0.8310 0.4552 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2241 1.8448 0.0000 N 0 0 0 0 0 0 0 0 0 -0.7586 -1.9172 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8310 -0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 1.4552 -0.8172 0.0000 C 0 0 0 0 0 0 0 0 0 1.6379 1.6517 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6517 1.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0.6552 -2.0103 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4621 0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 3.0724 1.5483 0.0000 Br 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 2 0 0 0 2 5 1 0 0 0 2 6 2 0 0 0 3 7 2 0 0 0 3 8 1 0 0 0 4 9 1 0 0 0 5 10 2 0 0 0 6 11 1 0 0 0 8 12 1 0 0 0 7 10 1 0 0 0 9 11 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00047621 > DiscoveryCPR > CPV7621 > 8-(BROMOMETHYL)QUINOLINE > 222.084 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 4.4777 -6.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4777 -7.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1922 -7.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9067 -7.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9067 -6.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1922 -6.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1922 -5.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4802 -5.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6187 -7.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3307 -7.5249 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -5.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6162 -5.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 7 11 1 0 0 0 0 1 2 2 0 0 0 0 11 12 1 0 0 0 0 G 11 7 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 11 12 M SBL 1 1 10 M SDI 1 4 5.7600 -5.3600 5.5600 -5.0000 M SMT 1 OCH3 M SBV 1 10 -0.7100 -0.4100 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00051437 > ALDRICH > 648116 > Methyl 3-(bromomethyl)benzoate > 229.07 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 -2.4994 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 1.4416 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7874 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7874 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 0.2070 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 7 8 1 0 9 4 1 0 10 9 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 13 16 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00059915 > DiscoveryCPR > CPW9915 > 3-(4-FLUOROPHENOXY)BENZYL BROMIDE > 281.12 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -2.9529 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9529 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6539 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3549 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3549 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6539 1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6539 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3549 3.6250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 1.3750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2429 -0.8750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 -3.1250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 -0.1250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00061172 > DiscoveryCPR > CPX1172 > 2-Fluoro-3-(trifluoromethyl)benzyl bromide > 257.02 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 2.2687 -0.3020 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4437 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4437 -1.1270 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4437 0.5230 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6187 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2062 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6187 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0313 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8563 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2687 -1.0164 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.6187 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0313 1.1270 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2062 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 8 11 1 0 11 12 1 0 11 13 2 0 5 13 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00061173 > DiscoveryCPR > CPX1173 > 2-FLUORO-4-(TRIFLUOROMETHYL)BENZYL BROMIDE > 257.023 $$$$ 13 13 0 0 0 1 V2000 -0.6517 -0.8103 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6517 0.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0.5655 -1.5241 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9034 -1.5414 0.0000 C 0 0 3 0 0 0 0 0 0 0.5655 1.3241 0.0000 C 0 0 0 0 0 0 0 0 0 1.8034 -0.8276 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1586 -2.2690 0.0000 F 0 0 0 0 0 0 0 0 0 -1.1759 -2.7931 0.0000 F 0 0 0 0 0 0 0 0 0 -2.6310 -0.2897 0.0000 F 0 0 0 0 0 0 0 0 0 1.8172 0.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0.5483 2.7517 0.0000 C 0 0 0 0 0 0 0 0 0 3.0862 1.2931 0.0000 F 0 0 0 0 0 0 0 0 0 1.7724 3.4655 0.0000 Br 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 3 6 1 0 0 0 4 7 1 0 0 0 4 8 1 0 0 0 4 9 1 0 0 0 5 10 1 0 0 0 5 11 1 0 0 0 10 12 1 0 0 0 11 13 1 0 0 0 6 10 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00061174 > DiscoveryCPR > CPX1174 > 2-FLUORO-5-(TRIFLUOROMETHYL)BENZYL BROMIDE > 257.023 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 1.6500 0.3548 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.4702 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 1.1798 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -0.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 1.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 1.7837 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6486 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -1.7837 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 11 2 0 5 11 1 0 7 12 1 0 12 13 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00061175 > DiscoveryCPR > CPX1175 > 3-FLUORO-5-(TRIFLUOROMETHYL)BENZYL BROMIDE > 257.023 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -0.7255 -1.6669 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5254 0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7255 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0843 0.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0843 -0.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7255 -1.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5254 -0.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7255 1.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5294 1.6669 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7243 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2603 1.3369 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1893 -0.2718 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5294 0.9969 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00061176 > ALDRICH > 436100 > 4-Fluoro-2-(trifluoromethyl)benzyl bromide > 257.02 $$$$ 13 13 0 0 0 1 V2000 0.2724 -0.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0.2724 0.9379 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9517 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 1.5241 -1.2138 0.0000 C 0 0 3 0 0 0 0 0 0 -0.9517 1.6517 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1862 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9517 -2.6241 0.0000 F 0 0 0 0 0 0 0 0 0 2.7759 -1.9448 0.0000 F 0 0 0 0 0 0 0 0 0 2.2517 0.0379 0.0000 F 0 0 0 0 0 0 0 0 0 0.7931 -2.4690 0.0000 F 0 0 0 0 0 0 0 0 0 -2.2034 0.9241 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9345 3.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0.2897 3.7966 0.0000 Br 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 2 0 0 0 3 7 1 0 0 0 4 8 1 0 0 0 4 9 1 0 0 0 4 10 1 0 0 0 5 11 2 0 0 0 5 12 1 0 0 0 12 13 1 0 0 0 6 11 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00061177 > DiscoveryCPR > CPX1177 > 4-FLUORO-3-(TRIFLUOROMETHYL)BENZYL BROMIDE > 257.023 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.7179 1.4149 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7179 -1.4149 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -0.8748 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 0.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -0.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7179 -1.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5278 -0.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5278 0.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7179 0.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 0.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5277 0.2954 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 6 1 0 0 0 0 3 5 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00061208 > ALDRICH > 449407 > 2,3,6-Trifluorobenzyl bromide > 225.01 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.3560 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0703 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 0.4131 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3586 0.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 0.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -0.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3579 -0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3564 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7850 0.8228 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0685 -0.8233 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7848 -0.8244 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 2 1 0 1 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 1 1 0 5 9 1 0 8 10 1 0 6 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00061209 > DiscoveryCPR > CPX1209 > 2,4,5-TRIFLUOROBENZYL BROMIDE, 98% > 225.007 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.3559 0.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0702 0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.0023 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3587 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 0.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 -0.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3563 -0.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0684 -1.2341 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -1.2351 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 1.2361 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 2 1 0 1 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 1 1 0 8 9 1 0 6 10 1 0 4 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00061210 > DiscoveryCPR > CPX1210 > 2,4,6-TRIFLUOROBENZYL BROMIDE > 225.007 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -2.2285 0.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2285 -0.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9295 -1.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3694 -0.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3694 0.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9295 1.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9295 2.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3694 3.7349 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.6685 1.4850 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6685 -1.5149 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9295 -3.0149 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00061233 > ALDRICH > 554685 > 2,3,4-Trifluorobenzyl bromide > 225.01 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -2.0686 1.5257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3675 0.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7753 0.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6608 1.5257 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.1514 -0.5795 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5838 -0.5795 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7753 -0.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5571 1.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5571 -1.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8896 0.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8896 -0.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0708 -1.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6608 -0.5458 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 2 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00061238 > ALDRICH > 370622 > 4-(Trifluoromethoxy)benzyl bromide > 255.03 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -0.3255 0.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3255 -0.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1254 -1.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9254 -0.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9254 0.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1254 0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1254 1.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3205 1.5674 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.3144 -1.2264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1204 -0.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6554 0.0424 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5844 -1.5674 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9254 -0.2984 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00061271 > ALDRICH > 408891 > 3-(Trifluoromethoxy)benzyl bromide > 255.03 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 0.4861 -2.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7838 -1.3642 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 -1.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 -0.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5775 -2.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5775 0.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4861 0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6689 -1.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6689 -0.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5775 -0.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4861 1.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6689 0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5775 2.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6689 1.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 6 9 2 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 13 14 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00075454 > ALDRICH > 360082 > 2-Phenylbenzyl bromide > 247.13 $$$$ 20 23 0 0 0 0 0 0 0 0 1 V2000 -1.7715 1.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0264 1.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4744 0.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9645 2.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4744 0.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0264 1.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7715 1.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9645 2.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.5738 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.3745 -0.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1995 -0.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3745 -2.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1995 -2.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 -1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 9 1 0 7 14 1 0 7 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 16 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00075522 > ALDRICH > 368873 > 9-Bromo-9-phenylfluorene > 321.21 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -1.0084 -0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0084 -1.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2904 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5894 -1.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5894 -0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2904 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2904 2.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5894 2.8099 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.8884 0.5600 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3074 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6064 -0.1899 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3074 2.0599 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3074 -0.9399 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00082477 > ALDRICH > 539627 > 2-Fluoro-6-(trifluoromethyl)benzyl bromide > 257.02 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.9879 0.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9879 -1.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6889 -1.9699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 -1.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 0.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6889 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 -1.9699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2079 -1.2200 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.2869 -1.9699 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.2869 1.0299 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6889 2.5299 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00083528 > ALDRICH > 559431 > 3,4,5-Trifluorobenzyl bromide > 225.01 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 1.6500 -0.3572 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.7862 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -0.3572 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.7862 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 2 0 2 9 1 0 9 10 1 0 10 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00083543 > DiscoveryCPR > CPZ3543 > 2,3,5-TRIFLUOROBENZYL BROMIDE > 225.007 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 -1.4252 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7108 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7108 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1397 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8542 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8542 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1397 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4302 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4302 0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 0.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 -1.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -0.8221 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 2 0 0 0 1 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 1 1 0 0 0 3 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 3 1 0 0 0 12 15 1 0 0 0 15 16 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00092076 > ALDRICH > 449385 > 4-(Bromomethyl)benzophenone > 275.14 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 0.7145 -0.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 0.5622 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.1385 0.1483 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0154 0.4492 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6738 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8375 -0.9747 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 2 7 1 0 0 0 7 8 1 0 0 0 5 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 10 12 1 0 0 0 10 13 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 9 10 11 12 13 M SBL 1 1 9 M SMT 1 ^SCF3 M SBV 1 9 -7.0259 6.2499 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00129189 > ALDRICH > 555444 > 4-(Trifluoromethylthio)benzyl bromide > 271.1 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 6.0455 -5.2973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7603 -5.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7603 -6.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0455 -6.9493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3304 -6.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3304 -5.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6185 -6.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4795 -6.9493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6185 -5.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9034 -6.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4795 -5.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9034 -5.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2003 -5.7007 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.1830 -6.9465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1784 -7.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 4 5 1 0 0 0 0 6 5 2 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 3 8 2 0 0 0 0 6 9 1 0 0 0 0 10 12 1 0 0 0 0 2 11 1 0 0 0 0 9 12 2 0 0 0 0 11 13 1 0 0 0 0 3 4 1 0 0 0 0 7 10 2 0 0 0 0 10 14 1 0 0 0 0 1 2 2 0 0 0 0 14 15 1 0 0 0 0 G 14 10 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 14 15 M SBL 1 1 14 M SDI 1 4 3.3100 -6.6200 3.5200 -6.9800 M SMT 1 OCH3 M SBV 1 14 0.7300 0.4100 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00143099 > FLUKA > 17631 > 3-Bromomethyl-7-methoxy-1,4-benzoxazin-2-one > 270.08 $$$$ 12 12 0 0 0 1 V2000 -0.8828 -0.0103 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0414 -1.1690 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2828 1.2966 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3138 -0.1414 0.0000 S 0 0 3 0 0 0 0 0 0 1.3793 -1.0310 0.0000 C 0 0 0 0 0 0 0 0 0 1.1379 1.4379 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5448 -1.5517 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3207 1.2897 0.0000 O 0 0 0 0 0 0 0 0 0 -3.7414 -0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 1.9793 0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 3.4069 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 4.2379 -0.7586 0.0000 Br 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 3 6 1 0 0 0 4 7 1 0 0 0 4 8 2 0 0 0 4 9 2 0 0 0 5 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 6 10 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00185849 > DiscoveryCPR > CQJ5849 > 4-METHYLSULPHONYLBENZYL BROMIDE > 249.127 $$$$ 16 16 0 0 0 0 0 0 0 0 1 V2000 -0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.8534 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.6173 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.0298 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.0298 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.6173 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 -1.8534 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0313 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 -1.8534 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 7 8 1 0 5 9 1 0 4 10 1 0 2 11 1 0 1 12 1 0 3 13 1 0 13 14 1 0 13 15 1 0 13 16 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 13 14 15 16 M SBL 1 1 13 M SMT 1 CF3 M SBV 1 13 -7.7773 6.0615 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00191855 > ALDRICH > 406406 > 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide > 310.99 $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 0.0820 2.3675 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3825 3.1151 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2226 3.1151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1104 0.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9461 0.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0218 1.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1104 -0.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9461 -0.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2489 0.4191 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9485 -1.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -2.3633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2489 -0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3825 -3.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00192064 > ALDRICH > 392855 > 4,5-Dimethoxy-2-nitrobenzyl bromide > 276.08 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.1768 0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8912 0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8912 -0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1768 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5377 -0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5377 0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1768 -1.5458 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8912 1.1347 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 4 7 1 0 0 0 1 8 1 0 0 0 8 9 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 8 M SMT 1 CH2Br M SBV 1 8 -8.4489 5.9372 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00209656 > ALDRICH > 515604 > 4-Iodobenzyl bromide > 296.93 $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 -1.0679 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0679 -0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3546 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3558 -0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3558 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3546 0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3546 1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0679 2.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3587 2.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3546 -1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0679 -2.0613 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0679 -1.2333 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0679 -0.4110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3558 -1.6444 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 3 10 1 0 0 0 0 10 11 1 0 0 0 0 4 12 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 G 12 4 NO2 M CHG 2 12 1 14 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 12 13 14 M SBL 1 1 10 M SMT 1 NO2 M SBV 1 10 -0.7100 0.8200 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00216575 > ALDRICH > 423564 > 4-Bromomethyl-3-nitrobenzoic acid > 260.04 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 2.1437 1.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4448 0.4466 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.1772 0.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0869 1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1772 -0.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0032 0.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0869 -1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0659 1.2482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0032 -0.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4448 0.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 2 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00216590 > ALDRICH > 429120 > 3-Methoxybenzyl bromide > 201.06 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.4785 -0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4785 -1.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1795 -2.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1194 -1.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1194 -0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1795 0.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7774 -2.2799 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4184 0.7199 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1795 2.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1194 2.9700 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00236034 > DiscoveryCPR > CQO6034 > 2,5-DICHLOROBENZYL BROMIDE > 239.92 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -1.0705 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.2070 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.4416 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 6 8 1 0 8 9 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00236046 > ALDRICH > 634603 > 2-Iodobenzyl bromide > 296.93 $$$$ 13 13 0 0 0 1 V2000 -1.0207 -0.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0.1931 -0.7414 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0207 1.3793 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2724 -0.7793 0.0000 C 0 0 3 0 0 0 0 0 0 1.4034 -0.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0.1931 2.0621 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7241 -2.1655 0.0000 F 0 0 0 0 0 0 0 0 0 -3.4862 -0.1000 0.0000 F 0 0 0 0 0 0 0 0 0 -2.8966 -2.1655 0.0000 F 0 0 0 0 0 0 0 0 0 1.4034 1.3793 0.0000 C 0 0 0 0 0 0 0 0 0 2.6552 -0.7793 0.0000 C 0 0 0 0 0 0 0 0 0 2.6552 2.1000 0.0000 Cl 0 0 0 0 0 0 0 0 0 3.9069 -0.0621 0.0000 Br 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 2 0 0 0 4 7 1 0 0 0 4 8 1 0 0 0 4 9 1 0 0 0 5 10 2 0 0 0 5 11 1 0 0 0 10 12 1 0 0 0 11 13 1 0 0 0 6 10 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00236216 > DiscoveryCPR > CQO6216 > 2-CHLORO-5-(TRIFLUOROMETHYL)BENZYL BROMIDE > 273.478 $$$$ 13 13 0 0 0 1 V2000 -0.8345 -0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0.3828 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8345 1.3759 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0862 -0.7862 0.0000 C 0 0 3 0 0 0 0 0 0 1.5966 -0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0.3828 -2.1724 0.0000 F 0 0 0 0 0 0 0 0 0 0.3828 2.0586 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7103 -2.1724 0.0000 F 0 0 0 0 0 0 0 0 0 -1.5345 -2.1724 0.0000 F 0 0 0 0 0 0 0 0 0 -3.3000 -0.1034 0.0000 F 0 0 0 0 0 0 0 0 0 1.5966 1.3759 0.0000 C 0 0 0 0 0 0 0 0 0 2.8483 2.0966 0.0000 C 0 0 0 0 0 0 0 0 0 4.1000 1.3759