17 17 0 0 0 0 0 0 0 0 1 V2000 4.9311 -5.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9311 -5.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6444 -6.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3548 -5.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3548 -5.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6444 -4.7495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6444 -3.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0668 -6.3968 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6557 -7.1089 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7006 -6.7440 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4780 -5.6848 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2175 -6.3968 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6286 -7.1089 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5054 -6.8079 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8064 -5.6848 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -3.5042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9276 -3.5159 0.0000 O 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 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 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 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 4 8 1 0 0 0 0 7 16 1 0 0 0 0 2 12 1 0 0 0 0 7 17 2 0 0 0 0 G 12 2 CF3 G 8 4 CF3 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 4 12 13 14 15 M SBL 1 1 16 M SDI 1 4 4.3500 -6.0700 4.5500 -6.4300 M SMT 1 CF3 M SBV 1 16 0.7100 0.4100 M SAL 2 4 8 9 10 11 M SBL 2 1 14 M SDI 2 4 6.7200 -6.4300 6.9300 -6.0700 M SMT 2 CF3 M SBV 2 14 -0.7100 0.4100 M SDS EXP 2 1 2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000387 > ALDRICH > 265284 > 3,5-Bis(trifluoromethyl)benzoyl chloride > 276.56 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 -0.7145 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 1.4416 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 7 9 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000653 > SIAL > B12695 > Benzoyl chloride > 140.57 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.3608 0.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3608 0.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3724 -0.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0513 -0.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3207 -1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0513 -0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3724 -0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0743 1.4066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3525 1.4066 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0743 0.2463 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 5 6 1 0 4 6 2 0 3 7 1 0 5 7 2 0 1 8 2 0 1 9 1 0 10 3 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000655 > ALDRICH > B59179 > 2-Bromobenzoyl chloride > 219.46 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0685 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0685 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 -1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0685 0.2076 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0685 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3581 1.4424 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 5 8 1 0 7 9 2 0 7 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000656 > ALDRICH > 120847 > 2-Fluorobenzoyl chloride > 158.56 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 1.4521 0.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7511 -0.3452 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4521 2.0605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 -0.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 -1.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6014 0.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5436 -2.0376 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6014 -2.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6899 -0.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6899 -1.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7511 -2.0376 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 8 10 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000658 > ALDRICH > 265292 > 2,4-Difluorobenzoyl chloride > 176.55 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.0001 0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 1.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7047 -0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7047 -0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7047 1.4296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7047 1.4296 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4066 0.1977 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4066 0.1977 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -1.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7047 -1.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7047 -1.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 1 4 1 0 2 5 2 0 2 6 1 0 4 7 1 0 3 8 1 0 9 10 1 0 4 10 2 0 3 11 1 0 9 11 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000659 > ALDRICH > 249408 > 2,6-Difluorobenzoyl chloride > 176.55 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0685 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0685 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 -1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0685 0.2076 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0685 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3581 1.4424 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 5 8 1 0 7 9 2 0 7 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000660 > ALDRICH > 103918 > 2-Chlorobenzoyl chloride > 175.01 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.0685 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0685 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 1.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0685 1.8550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 1.8550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0685 0.6175 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 -1.8550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 5 10 1 0 3 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000661 > ALDRICH > 111937 > 2,4-Dichlorobenzoyl chloride > 209.46 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -0.7117 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7117 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7117 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 1.4424 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4253 0.2049 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 0.2049 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 5 10 1 0 1 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000662 > ALDRICH > 187518 > 2,6-Dichlorobenzoyl chloride > 209.46 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -1.0558 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0558 0.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3252 -0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3252 0.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0587 -0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7489 1.4038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7489 0.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3653 1.4038 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7489 -0.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3252 -0.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0587 -0.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7489 -1.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0157 -1.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 3 4 1 0 4 5 1 0 2 6 2 0 5 7 2 0 2 8 1 0 1 9 1 0 3 10 1 0 5 11 1 0 9 12 2 0 12 13 1 0 10 13 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000663 > ALDRICH > 165190 > O-Acetylsalicyloyl chloride > 198.6 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 4.4588 -6.6799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4588 -7.5049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1721 -7.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8825 -7.5049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8825 -6.6799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1721 -6.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1721 -5.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4588 -5.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8854 -5.0326 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5958 -6.2674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3078 -6.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 5 10 1 0 0 0 0 1 2 2 0 0 0 0 10 11 1 0 0 0 0 G 10 5 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 10 11 M SBL 1 1 9 M SDI 1 4 6.4500 -6.5800 6.2500 -6.2200 M SMT 1 OCH3 M SBV 1 9 -0.7200 -0.4100 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000664 > ALDRICH > 254703 > 2-Methoxybenzoyl chloride > 170.59 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 1.0793 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3783 0.2332 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0793 2.6391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1142 0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1142 -0.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9787 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1892 -1.4408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9787 -1.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9787 2.2914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0673 0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1892 -3.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0673 -0.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3783 3.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000665 > ALDRICH > 262420 > 2,6-Dimethoxybenzoyl chloride > 200.62 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 4.6826 -5.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3645 -7.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3645 -5.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3645 -6.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6826 -7.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0808 -7.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6826 -6.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0808 -6.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0635 -5.0396 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7970 -6.2630 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3859 -5.5510 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5090 -5.8519 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2081 -6.9751 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 4 7 2 0 0 0 0 9 3 1 0 0 0 0 8 10 1 0 0 0 0 1 3 2 0 0 0 0 3 4 1 0 0 0 0 4 8 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 G 10 8 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 10 11 12 13 M SBL 1 1 7 M SDI 1 4 6.6500 -6.5700 6.4500 -6.2100 M SMT 1 CF3 M SBV 1 7 -0.7200 -0.4100 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000667 > ALDRICH > 249483 > 2-(Trifluoromethyl)benzoyl chloride > 208.56 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0705 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.4416 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 5 8 1 0 0 0 7 9 1 0 0 0 7 10 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000668 > ALDRICH > 122017 > o-Toluoyl chloride > 154.59 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.3680 0.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 0.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3653 -0.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0584 -0.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3279 -1.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0584 -0.9985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3653 -0.9985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0815 1.4081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3454 1.4081 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0815 -1.4081 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 5 6 1 0 4 6 2 0 3 7 1 0 5 7 2 0 1 8 2 0 1 9 1 0 10 7 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000669 > ALDRICH > 259314 > 3-Bromobenzoyl chloride > 219.46 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0700 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -1.4424 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3567 1.4424 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 4 8 1 0 7 9 2 0 7 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000670 > ALDRICH > 162531 > 3-Fluorobenzoyl chloride , 98 % > 158.56 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0700 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3567 1.4424 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -1.4424 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 4 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000671 > ALDRICH > C26801 > 3-Chlorobenzoyl chloride > 175.01 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.0700 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 1.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 1.8550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3567 1.8550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -1.0298 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -1.8550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 4 10 1 0 3 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000672 > ALDRICH > 111945 > 3,4-Dichlorobenzoyl chloride > 209.46 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 5.3131 -6.6799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3131 -7.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0265 -7.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 -7.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 -6.6799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0265 -6.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0265 -5.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3089 -5.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7398 -5.0326 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.4656 -7.9299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4619 -8.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 4 10 1 0 0 0 0 1 2 2 0 0 0 0 10 11 1 0 0 0 0 G 10 4 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 10 11 M SBL 1 1 9 M SDI 1 4 7.1100 -7.9600 7.3200 -7.6100 M SMT 1 OCH3 M SBV 1 9 -0.7200 0.4200 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000673 > ALDRICH > 230243 > 3-Methoxybenzoyl chloride , 99 % > 170.59 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 5.3131 -6.6799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3131 -7.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0265 -7.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 -7.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 -6.6799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0265 -6.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0265 -5.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3089 -5.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7398 -5.0326 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.4656 -7.9299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4619 -8.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0208 -8.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7333 -9.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 4 10 1 0 0 0 0 1 2 2 0 0 0 0 10 11 1 0 0 0 0 2 3 1 0 0 0 0 3 12 1 0 0 0 0 3 4 2 0 0 0 0 12 13 1 0 0 0 0 G 10 4 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 10 11 M SBL 1 1 7 M SDI 1 4 7.1100 -7.9600 7.3200 -7.6100 M SMT 1 OCH3 M SBV 1 7 -0.7200 0.4200 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000674 > ALDRICH > 258040 > 3,4-Dimethoxybenzoyl chloride > 200.62 $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 5.3131 -6.6799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3131 -7.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0265 -7.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 -7.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 -6.6799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0265 -6.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0265 -5.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3089 -5.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7398 -5.0326 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5928 -7.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8673 -7.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4656 -7.9299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4619 -8.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0208 -8.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7333 -9.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 2 10 1 0 0 0 0 4 12 1 0 0 0 0 1 2 2 0 0 0 0 10 11 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 12 13 1 0 0 0 0 4 5 1 0 0 0 0 3 14 1 0 0 0 0 5 6 2 0 0 0 0 14 15 1 0 0 0 0 G 12 4 OCH3 G 10 2 OCH3 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 2 12 13 M SBL 1 1 6 M SDI 1 4 7.1100 -7.9600 7.3200 -7.6100 M SMT 1 OCH3 M SBV 1 6 -0.7200 0.4200 M SAL 2 2 10 11 M SBL 2 1 5 M SDI 2 4 4.7200 -7.6100 4.9300 -7.9600 M SMT 2 OCH3 M SBV 2 5 0.7200 0.4300 M SDS EXP 2 1 2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000675 > ALDRICH > T69809 > 3,4,5-Trimethoxybenzoyl chloride > 230.64 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 5.3131 -6.6799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3131 -7.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0265 -7.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 -7.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 -6.6799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0265 -6.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0265 -5.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3089 -5.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7398 -5.0326 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5928 -7.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8673 -7.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4656 -7.9299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4619 -8.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 2 10 1 0 0 0 0 4 12 1 0 0 0 0 1 2 2 0 0 0 0 10 11 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 12 13 1 0 0 0 0 G 10 2 OCH3 G 12 4 OCH3 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 2 10 11 M SBL 1 1 7 M SDI 1 4 4.7200 -7.6100 4.9300 -7.9600 M SMT 1 OCH3 M SBV 1 7 0.7200 0.4300 M SAL 2 2 12 13 M SBL 2 1 8 M SDI 2 4 7.1100 -7.9600 7.3200 -7.6100 M SMT 2 OCH3 M SBV 2 8 -0.7200 0.4200 M SDS EXP 2 1 2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000676 > ALDRICH > 161713 > 3,5-Dimethoxybenzoyl chloride > 200.62 $$$$ 12 12 0 0 0 1 V2000 1.0069 -0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2138 -0.6862 0.0000 C 0 0 0 0 0 0 0 0 0 1.0414 1.3759 0.0000 C 0 0 0 0 0 0 0 0 0 2.2138 -0.7586 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4207 0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1345 2.1172 0.0000 C 0 0 0 0 0 0 0 0 0 3.4448 -0.1034 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3724 1.4414 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6517 -0.6103 0.0000 C 0 0 0 0 0 0 0 0 0 4.6517 -0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8586 0.0966 0.0000 O 0 0 0 0 0 0 0 0 0 -2.6966 -2.0276 0.0000 Cl 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 3 6 1 0 0 0 4 7 1 0 0 0 5 8 1 0 0 0 5 9 1 0 0 0 7 10 1 0 0 0 9 11 2 0 0 0 9 12 1 0 0 0 6 8 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000677 > DiscoveryCPR > CPR0677 > 3-ETHOXYBENZOYL CHLORIDE > 184.621 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 4.6724 -6.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6724 -7.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3857 -7.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1003 -7.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1003 -6.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3857 -6.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3857 -5.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6683 -4.9016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0990 -4.9016 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.8248 -7.8031 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5429 -8.2234 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4003 -8.5211 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2442 -7.0826 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 4 10 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 G 10 4 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 10 11 12 13 M SBL 1 1 7 M SDI 1 4 6.4700 -7.8300 6.6800 -7.4800 M SMT 1 CF3 M SBV 1 7 -0.7200 0.4300 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000680 > ALDRICH > 250279 > 3-(Trifluoromethyl)benzoyl chloride > 208.56 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0705 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.4416 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 7 9 2 0 0 0 4 10 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000681 > ALDRICH > 122254 > m-Toluoyl chloride > 154.59 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.0025 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.8520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.6187 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.8520 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 8 1 0 7 8 2 0 8 9 1 0 6 10 1 0 10 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000682 > ALDRICH > 263664 > 3-(Chloromethyl)benzoyl chloride > 189.04 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.0013 1.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0013 0.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6918 1.8106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6918 0.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6918 0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6918 1.8106 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0387 -0.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6918 -0.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6918 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0387 -1.8106 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 2 4 2 0 2 5 1 0 1 6 1 0 7 9 1 0 4 8 1 0 5 9 2 0 7 10 1 0 7 8 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000683 > ALDRICH > B59209 > 4-Bromobenzoyl chloride > 219.46 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.7133 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7133 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7104 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7104 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7133 1.8550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7133 1.8550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.8550 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 3 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000684 > ALDRICH > 119946 > 4-Fluorobenzoyl chloride > 158.56 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.7133 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7133 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7104 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7104 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7133 1.8550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7133 1.8550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.8550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 3 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000686 > ALDRICH > 111902 > 4-Chlorobenzoyl chloride > 175.01 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 6.2285 -5.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2285 -6.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5088 -4.8091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9440 -6.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5130 -6.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9398 -4.8105 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2285 -7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5130 -7.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9453 -7.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2270 -8.5284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5141 -8.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 1 6 1 0 0 0 0 7 8 1 0 0 0 0 5 8 2 0 0 0 0 4 9 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 1 2 1 0 0 0 0 10 11 1 0 0 0 0 G 10 7 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 10 11 M SBL 1 1 9 M SDI 1 4 6.0200 -8.2500 6.4200 -8.2500 M SMT 1 OCH3 M SBV 1 9 0.0000 0.8200 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000687 > ALDRICH > A88476 > 4-Methoxybenzoyl chloride > 170.59 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 1.0705 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4944 0.0021 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.2339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4944 -1.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 8 1 0 7 8 2 0 8 9 1 0 5 10 1 0 10 11 1 0 11 12 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000688 > ALDRICH > 288829 > 4-Ethoxybenzoyl chloride , 98 % > 184.62 $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 -1.1739 2.5023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4714 1.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1235 1.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3756 2.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1235 0.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4603 2.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2856 1.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4603 -0.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8028 1.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5831 2.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8028 0.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9879 -0.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5831 0.4241 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9879 -2.5304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000689 > ALDRICH > 222046 > 4-Butoxybenzoyl chloride > 212.67 $$$$ 16 16 0 0 0 0 0 0 0 0 1 V2000 -0.2696 2.5023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5671 1.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0335 1.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4714 2.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0335 0.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3703 2.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3756 1.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3703 -0.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 1.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2856 2.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 0.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1900 1.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8922 -0.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4874 2.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4874 0.4241 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8922 -2.5304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000690 > ALDRICH > 222119 > 4-(Hexyloxy)benzoyl chloride > 240.73 $$$$ 17 17 0 0 0 0 0 0 0 0 1 V2000 0.1882 2.5023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1092 1.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4857 1.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0192 2.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4857 0.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8224 2.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9235 1.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8224 -0.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1592 1.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8278 2.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1592 0.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7321 1.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 -0.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6364 2.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9395 0.4241 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 -2.5304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9395 1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 17 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000691 > ALDRICH > 222062 > 4-(Heptyloxy)benzoyl chloride > 254.8 $$$$ 15 16 0 0 0 0 0 0 0 0 1 V2000 -0.3264 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 -0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3264 0.5815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3238 -0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4409 0.5815 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7477 0.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0572 0.5815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0572 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3238 0.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7504 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 -1.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4409 -0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7504 -1.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4409 -1.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7477 1.8593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 1 4 1 0 5 6 1 0 6 7 1 0 7 8 1 0 4 8 2 0 3 9 1 0 2 10 2 0 2 11 1 0 10 12 1 0 11 13 2 0 13 14 1 0 7 9 2 0 12 14 2 0 6 15 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000692 > ALDRICH > 161144 > Biphenyl-4-carbonyl chloride > 216.66 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 5.2351 -4.5052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9170 -7.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9170 -4.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9170 -5.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2351 -6.9461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -6.9461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2351 -6.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -6.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6160 -4.4993 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9083 -8.1950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7305 -8.1950 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9083 -9.0173 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0861 -8.1950 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 4 7 2 0 0 0 0 9 3 1 0 0 0 0 2 10 1 0 0 0 0 1 3 2 0 0 0 0 3 4 1 0 0 0 0 4 8 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 G 10 2 CF3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 10 11 12 13 M SBL 1 1 7 M SDI 1 4 5.7000 -7.9100 6.1100 -7.9100 M SMT 1 CF3 M SBV 1 7 0.0100 0.8300 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000694 > ALDRICH > 249475 > 4-(Trifluoromethyl)benzoyl chloride > 208.56 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -0.7132 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7105 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7105 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 1.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -1.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 2.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7134 2.2675 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -2.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8251 -1.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8251 -1.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 3 8 1 0 7 9 2 0 7 10 1 0 8 11 1 0 8 12 1 0 8 13 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000695 > ALDRICH > 157120 > 4-tert-Butylbenzoyl chloride > 196.67 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 0.0000 1.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7048 1.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7048 0.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7048 0.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7048 1.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7048 -0.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7048 -0.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 2 4 2 0 2 5 1 0 1 6 1 0 5 7 2 0 4 8 1 0 7 9 1 0 9 10 1 0 8 9 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000696 > ALDRICH > 106631 > p-Toluoyl chloride > 154.59 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.7145 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 0.0021 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -1.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1385 -0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 8 1 0 7 8 2 0 8 9 1 0 5 10 1 0 10 11 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000697 > ALDRICH > 283509 > 4-Ethylbenzoyl chloride > 168.62 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -2.3051 0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6042 -0.2903 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.3051 2.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3355 -0.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3355 -1.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2469 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2469 -2.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8416 -0.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8416 -1.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8067 -1.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5430 -1.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -2.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000698 > ALDRICH > 249459 > 4-Propylbenzoyl chloride > 182.65 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -2.6617 0.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9618 -0.3444 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6617 2.0550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6992 -0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6992 -1.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6135 0.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6135 -2.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4721 -0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4721 -1.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4391 -1.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1736 -1.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9080 -1.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9618 -1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000699 > ALDRICH > 222038 > 4-Butylbenzoyl chloride > 196.67 $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 1.8878 3.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1867 2.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1856 2.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4855 3.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1856 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7425 3.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7925 2.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7425 -0.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6627 2.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6560 3.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6627 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3648 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6560 0.5204 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.3648 -3.7312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000700 > ALDRICH > 222143 > 4-Pentylbenzoyl chloride > 210.7 $$$$ 15 15 0 0 0 0 0 0 0 0 1 V2000 -3.4098 0.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7087 -0.3452 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4098 2.0605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 -0.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 -1.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3515 0.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3515 -2.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2629 -0.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2629 -1.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7021 -1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4429 -1.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1793 -1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9157 -1.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6522 -1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7087 -1.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000701 > ALDRICH > 222097 > 4-Hexylbenzoyl chloride > 224.73 $$$$ 16 16 0 0 0 0 0 0 0 0 1 V2000 0.5889 3.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8878 2.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1214 2.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1867 3.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1214 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0414 3.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4856 2.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0414 -0.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9614 2.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7925 3.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9614 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0914 2.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6637 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9549 3.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9549 0.5204 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.6637 -3.7312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000702 > ALDRICH > 222054 > 4-Heptylbenzoyl chloride > 238.75 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.3549 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6538 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5166 0.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3549 -3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9449 -0.9439 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6538 3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9449 -0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 3 7 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000705 > ALDRICH > 151440 > Methyl chlorooxoacetate > 122.51 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -0.6949 -0.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6049 0.4895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6065 0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6949 -2.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9049 -0.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2048 -0.6583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6065 2.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2048 0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 2 0 0 0 0 5 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000706 > ALDRICH > E43101 > Ethyl chlorooxoacetate > 136.53 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -1.7862 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2048 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.0270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9406 -0.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 5 7 2 0 0 0 2 8 2 0 0 0 4 9 1 0 0 0 4 10 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000708 > ALDRICH > 326178 > 1-Chlorocarbonyl-1-methylethyl acetate > 164.59 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.8632 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4355 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7267 -0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8632 3.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7267 1.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7267 0.9438 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4355 -3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000709 > ALDRICH > T72605 > Trimethylacetyl chloride > 120.58 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 0.8673 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4316 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8673 -3.2995 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.7308 0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7308 -0.9439 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4316 3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000711 > ALDRICH > 145807 > 2-Bromopropionyl chloride > 171.42 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 0.0000 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.2995 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.5901 -0.9439 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5901 -0.9439 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 3 7 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000712 > ALDRICH > 300373 > 2,3-Dibromopropionyl chloride > 250.32 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -1.4289 -0.2063 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2063 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.0284 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 4 6 2 0 0 0 3 7 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000713 > ALDRICH > 250139 > 2,3-Dichloropropionyl chloride > 161.41 $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 0.4627 -0.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4627 0.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 -1.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4091 -1.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3017 -0.3698 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 -2.5433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4091 -2.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3925 -0.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3759 0.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 2.8863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3925 -2.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3759 -1.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3759 -2.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 12 14 2 0 0 0 0 13 14 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000714 > ALDRICH > A17404 > O-Acetylmandelic chloride > 212.6 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 0.7145 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 1.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -1.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1385 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 5 1 0 4 5 2 0 5 6 1 0 1 7 1 0 7 8 1 0 3 9 1 0 9 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000718 > ALDRICH > 157406 > 2-Ethylhexanoyl chloride > 162.66 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 0.1499 -0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1499 0.3382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1699 -0.4416 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 -0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1698 0.4416 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 4 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000724 > FLUKA > 16120 > Bromoacetyl chloride > 157.39 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -0.6462 -0.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6544 -1.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 -2.1119 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6462 2.1119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9270 -0.2329 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000725 > ALDRICH > 104493 > Chloroacetyl chloride > 112.94 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 0.0869 0.6394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3883 -0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2088 -0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2913 0.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2088 -1.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5437 0.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8787 -0.5047 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2913 2.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5437 -2.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8786 -0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8786 -1.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000726 > ALDRICH > 158623 > Phenoxyacetyl chloride > 170.59 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 0.8805 0.7096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 -0.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4151 -0.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 0.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4151 -1.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 0.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6779 -0.4346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 2.5157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -2.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0849 -0.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0849 -1.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6779 -2.5157 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000727 > ALDRICH > 193941 > 4-Chlorophenoxyacetyl chloride > 205.04 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 -0.3549 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6538 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5166 -0.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9449 -2.1217 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6538 2.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9449 -1.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 3 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000728 > ALDRICH > M9653 > Methoxyacetyl chloride > 108.52 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0692 -0.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 -1.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3548 -1.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3597 -1.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3597 -0.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3548 -0.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3548 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 0.6195 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.8527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 8 10 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000729 > ALDRICH > P16753 > Phenylacetyl chloride > 154.59 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 0.0123 -1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 -0.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9841 -0.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -1.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7417 -1.7143 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9841 1.5411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000730 > ALDRICH > 183660 > 3,3-Dimethylacryloyl chloride > 118.56 $$$$ 5 4 0 0 0 0 0 0 0 0 1 V2000 -2.0434 0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7445 -0.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5544 0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8535 -0.7450 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5544 1.5049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000731 > SIAL > A24109 > Acryloyl chloride > 90.51 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.0700 -0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -2.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3567 0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3567 1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 2.0613 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 2.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 11 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000732 > ALDRICH > C81101 > Cinnamoyl chloride > 166.6 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 0.0160 -1.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2827 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7102 -0.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5739 -2.1216 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2827 2.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5739 -1.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 3 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000734 > ALDRICH > 127787 > Crotonoyl chloride > 104.53 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -2.1434 -0.6173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 2 8 2 0 0 0 4 9 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000736 > FLUKA > 63398 > Ethyl malonyl chloride > 150.56 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 0.2087 -1.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5096 -0.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0841 -0.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3646 -1.8710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5096 2.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3646 -2.1119 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0841 2.1119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000738 > ALDRICH > 157422 > Isovaleryl chloride > 120.58 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 -0.4355 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8632 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7426 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1621 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0414 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4610 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3403 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7678 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6391 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9303 -2.1217 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.6391 2.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9303 -0.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 10 13 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000739 > ALDRICH > 249432 > Undecanoyl chloride > 204.74 $$$$ 14 13 0 0 0 0 0 0 0 0 1 V2000 3.5600 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2744 -0.6173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5600 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2744 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5624 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8504 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1385 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0025 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7095 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4215 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1335 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8455 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 2 1 1 0 0 0 1 3 2 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000740 > ALDRICH > 156930 > Lauroyl chloride > 218.76 $$$$ 16 15 0 0 0 0 0 0 0 0 1 V2000 7.0061 -3.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5257 -3.5521 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.0061 -2.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2773 -3.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7928 -3.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -3.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8322 -3.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3477 -3.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8632 -3.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3796 -3.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8974 -3.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4152 -3.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9330 -3.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4508 -3.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9686 -3.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4865 -3.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 1 1 0 0 0 0 1 3 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 G 16 1 CH3(CH2)11CH^2 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 13 4 5 6 7 8 9 10 11 12 13 14 15 16 M SBL 1 1 1 M SMT 1 CH3(CH2)11CH^2 M SBV 1 1 0.5200 0.3000 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000741 > ALDRICH > 185205 > Myristoyl chloride > 246.82 $$$$ 18 17 0 0 0 0 0 0 0 0 1 V2000 5.1524 -0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1524 -0.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1423 -0.8573 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2523 -0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7573 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7673 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2723 -0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2823 -0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7873 -1.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2023 -1.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6973 -0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6873 -0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1823 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1723 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6673 0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6573 0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1524 1.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1423 1.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000742 > ALDRICH > P78 > Palmitoyl chloride > 274.87 $$$$ 19 18 0 0 0 0 0 0 0 0 1 V2000 -3.0415 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7426 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3403 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4355 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6391 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8631 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9380 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2449 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4609 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5438 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7679 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8351 -2.1217 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -9.5438 2.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3657 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6644 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9634 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8351 -0.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000743 > ALDRICH > 306657 > Heptadecanoyl chloride > 288.9 $$$$ 20 19 0 0 0 0 0 0 0 0 1 V2000 -2.3840 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0851 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6828 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2137 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9898 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5206 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2887 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8195 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5875 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1184 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8864 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4173 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1853 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7161 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4845 -2.1217 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -10.1853 2.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0231 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3220 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6208 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4845 -1.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000744 > ALDRICH > 171158 > Stearoyl chloride > 302.92 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 0.0000 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5901 -2.1217 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 2.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5901 -2.1217 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 3 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000746 > ALDRICH > 142514 > 3-Bromopropionyl chloride > 171.42 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 0.6898 -0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6898 0.3382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7099 -0.4416 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1801 -0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7099 0.4416 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000747 > ALDRICH > 147443 > 3-Chloropropionyl chloride > 126.97 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -2.1434 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0014 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 7 5 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 10 9 1 0 0 0 9 11 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000748 > ALDRICH > 249440 > Hydrocinnamoyl chloride > 168.62 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -1.9642 0.2062 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2497 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5352 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8937 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8937 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2497 -1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2522 0.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9642 -0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 5 6 2 0 0 0 2 7 2 0 0 0 5 8 1 0 0 0 8 9 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 8 9 M SBL 1 1 7 M SMT 1 OCH3 M SBV 1 7 -4.9842 4.6156 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000750 > ALDRICH > C11049 > Methyl 4-chloro-4-oxobutyrate > 150.56 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -0.3535 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -0.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4944 0.2055 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4944 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -1.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 5 1 0 4 5 2 0 5 6 1 0 3 7 1 0 6 8 1 0 8 9 1 0 3 10 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000751 > ALDRICH > 190705 > Ethyl 4-chloro-4-oxobutyrate > 164.59 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.6493 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9483 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6574 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2395 -2.1217 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9483 2.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9564 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2395 -0.2339 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000753 > ALDRICH > 251933 > 4-Bromobutyryl chloride > 185.45 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.6493 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9483 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6574 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2395 -2.1217 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9483 2.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9564 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2395 -0.2339 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000754 > ALDRICH > 343935 > 4-Chlorobutyryl chloride > 141 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -2.3214 -0.5153 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6069 -0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8925 -0.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5365 -0.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2509 -0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2509 0.7194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6069 0.7194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6094 -0.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3214 -0.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 6 7 2 0 0 0 2 8 2 0 0 0 6 9 1 0 0 0 9 10 1 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 9 10 M SBL 1 1 8 M SMT 1 OCH3 M SBV 1 8 -6.1739 4.5644 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000756 > ALDRICH > M35355 > Glutaric acid monomethyl ester chloride > 164.59 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.4295 -1.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7304 -0.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8632 -0.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0109 -2.1119 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7304 2.1119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 -1.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0110 -0.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000757 > ALDRICH > 157147 > Valeroyl chloride > 120.58 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -2.1434 -0.6173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.6173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 6 8 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000758 > ALDRICH > 125245 > 5-Chlorovaleroyl chloride > 155.02 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -2.1434 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.6173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 6 8 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000760 > ALDRICH > 156957 > Hexanoyl chloride > 134.6 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -0.6534 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9522 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6534 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2511 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9522 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5423 -2.1217 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.2511 2.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2511 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5423 -0.2339 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000761 > ALDRICH > 235555 > 6-Bromohexanoyl chloride > 213.5 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 4.1029 -3.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6226 -3.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1422 -3.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6618 -3.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1814 -3.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7010 -3.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2206 -3.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7403 -3.6063 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.2206 -2.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 7 9 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000763 > ALDRICH > 147249 > Heptanoyl chloride > 148.63 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 2.1360 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8504 -0.6173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8504 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1385 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0025 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7095 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4215 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 2 1 1 0 0 0 1 3 2 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000766 > ALDRICH > O4733 > Octanoyl chloride > 162.66 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 -0.4355 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8632 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7425 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0414 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4609 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3403 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7679 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6315 -2.1217 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.3403 2.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6315 -0.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000768 > ALDRICH > 156833 > Nonanoyl chloride > 176.68 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 -1.0851 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2137 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5206 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6828 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8195 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9898 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1185 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2810 -2.1217 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.9898 2.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4173 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2810 -1.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000771 > ALDRICH > 140295 > Decanoyl chloride > 190.71 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 -0.4355 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8632 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7426 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1621 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0414 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4610 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3403 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7678 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6391 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9303 -2.1217 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.6391 2.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9303 -0.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 10 13 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000772 > ALDRICH > 161667 > 10-Undecenoyl chloride > 202.72 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 0.6544 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6463 0.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9270 0.9516 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7705 -2.3005 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0237 -3.2964 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 -0.9275 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6463 3.2964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000792 > ALDRICH > 151599 > Trichloroacetyl chloride > 181.83 $$$$ 17 18 0 0 0 0 0 0 0 0 1 V2000 0.0476 -0.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2501 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0476 0.8183 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6091 -0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5111 -0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2501 1.5678 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8698 0.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6091 -1.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2395 -0.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5111 -1.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1414 -0.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2395 -1.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8698 -0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1414 -1.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7718 -0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8698 -1.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7718 -1.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 2 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 12 16 2 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 15 17 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000815 > ALDRICH > C39288 > 2-Chloro-2,2-diphenylacetyl chloride > 265.13 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 4.9248 -2.9688 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4371 -3.2646 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9494 -2.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4618 -3.2646 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9494 -2.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4371 -3.8521 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 3 5 2 0 0 0 0 2 1 1 0 0 0 0 2 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000840 > ALDRICH > D55008 > Dichloroacetyl chloride > 147.39 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.0714 -0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0714 -1.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3581 -1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3523 -1.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3523 -0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3581 -0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3581 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0714 1.0298 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0714 0.6173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 1.8550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 9 11 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000857 > ALDRICH > 130966 > alpha-Chlorophenylacetyl chloride > 189.04 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 0.8673 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4316 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7308 0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8673 -3.2995 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.7308 -0.9439 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4316 3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000862 > ALDRICH > 157139 > 2-Chloropropionyl chloride > 126.97 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -1.0685 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0685 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 -1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0685 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3581 1.4424 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0685 0.2076 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 5 10 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001040 > ALDRICH > 252115 > 2-Iodobenzoyl chloride > 266.46 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 1.4521 0.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7511 -0.3452 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4521 2.0605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 -0.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 -1.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6014 0.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6014 -2.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6899 -0.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6899 -1.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7511 -2.0376 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001058 > ALDRICH > 252123 > 4-Iodobenzoyl chloride > 266.46 $$$$ 6 6 0 0 0 0 0 0 0 0 1 V2000 0.4687 0.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7677 0.7569 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4687 -1.6533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4962 0.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7677 0.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1319 1.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001277 > ALDRICH > C116807 > Cyclopropanecarbonyl chloride > 104.53 $$$$ 12 13 0 0 0 0 0 0 0 0 1 V2000 4.5537 -3.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7172 -2.6403 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5537 -4.1841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1688 -2.7617 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9861 -2.7617 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5753 -2.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6012 -3.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6012 -3.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3025 -2.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3025 -4.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0036 -3.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0036 -3.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 4 1 1 6 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 1 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 11 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001278 > ALDRICH > 134309 > trans-2-Phenyl-1-cyclopropanecarbonyl chloride > 180.63 $$$$ 7 7 0 0 0 0 0 0 0 0 1 V2000 0.4687 0.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7677 -0.6632 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4687 1.7425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4963 -0.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4963 -1.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7678 -0.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7678 -1.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 7 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001319 > ALDRICH > C95706 > Cyclobutanecarbonyl chloride > 118.56 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 0.0000 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 1.2528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 1.2528 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -1.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -1.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 2 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001370 > ALDRICH > 328316 > Cyclopentanecarbonyl chloride > 132.59 $$$$ 10 10 0 0 0 0 0 0 0 0 1 V2000 -0.3255 -1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1505 -1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4054 -0.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 0.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0705 -0.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 0.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0235 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 0.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 1.2521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 0.0175 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 4 6 1 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 9 8 2 0 0 0 8 10 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001391 > ALDRICH > 268593 > Cyclopentanepropionyl chloride > 160.64 $$$$ 9 9 0 0 0 0 0 0 0 0 1 V2000 4.6596 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6596 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -4.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6988 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6988 -3.2000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1792 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2184 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7380 -3.2000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2184 -2.3021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 7 1 0 0 0 0 7 9 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001456 > ALDRICH > 156965 > Cyclohexanecarbonyl chloride > 146.61 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 5.2126 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2126 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9259 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6364 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6364 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9259 -7.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9259 -4.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2126 -4.5540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6393 -4.5540 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9246 -8.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9232 -9.0904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 6 10 1 0 0 0 0 1 2 2 0 0 0 0 10 11 3 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001822 > ALDRICH > 124826 > 4-Cyanobenzoyl chloride > 165.58 $$$$ 8 8 0 0 0 0 0 0 0 0 1 V2000 -0.0268 0.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2931 0.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1180 0.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3616 0.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6872 -0.3628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7587 -0.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9412 -0.9126 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3616 0.4479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 1 1 0 1 6 1 0 6 7 1 0 6 8 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00003228 > ALDRICH > 149861 > 2-Furoyl chloride > 130.53 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 1.4053 -1.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0015 -1.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4108 -1.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3997 -0.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7034 0.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0071 -0.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6718 -1.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7148 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7034 0.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4167 -0.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7034 1.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 1.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 1.4339 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7 2 2 0 3 8 2 0 4 1 2 0 4 5 1 0 2 6 1 0 1 7 1 0 2 8 1 0 6 9 1 0 3 10 1 0 5 6 2 0 9 10 2 0 11 5 1 0 11 12 2 0 11 13 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00004002 > ALDRICH > 250252 > 1-Naphthoyl chloride > 190.63 $$$$ 13 14 0 0 0 0 0 0 0 0 1 V2000 0.6990 -0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7077 -0.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1171 -0.7921 0.0000 C 0 0 0 0 0 0 0 0 0