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 O 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 0.3572 1.8527 0.0000 O 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 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 2 0 0 0 8 10 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000637 > ALDRICH > 167525 > Phenyl chloroformate > 156.57 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -2.8349 -0.0001 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6648 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6648 0.7798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 -0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8349 -0.0051 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4149 0.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 0.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8049 -0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 -0.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4149 -0.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 4 1 0 0 0 0 2 3 2 0 0 0 0 4 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000638 > ALDRICH > 363871 > 4-Chlorophenyl chloroformate > 191.01 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 -0.7333 -0.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -1.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0663 0.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4006 0.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2238 -2.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0663 1.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3576 -0.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1851 -1.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6008 2.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3577 -2.2272 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1851 -0.0476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5703 1.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000643 > ALDRICH > 249769 > 2-Ethylhexyl chloroformate > 192.68 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 0.8248 0.0044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8248 -0.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9648 -0.8053 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1049 -0.8053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5699 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4998 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9648 0.8053 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000645 > ALDRICH > 368970 > (2-Bromoethyl) chloroformate > 187.42 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -0.4549 -1.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7524 -0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8481 -0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3476 -1.4772 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7524 1.4772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7525 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3476 -0.1629 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000646 > ALDRICH > 252514 > 2-Chloroethyl chloroformate > 142.97 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 0.1455 -1.3045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4444 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1476 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7377 -1.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4444 1.4724 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.7377 -1.4724 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1476 1.4724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000647 > ALDRICH > 301485 > 1-Chloroethyl chloroformate > 142.97 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -0.7582 -1.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5391 -0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0557 -0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4491 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6509 -1.4772 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0557 1.4772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3534 -0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6510 -1.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000650 > ALDRICH > 184462 > Butyl chloroformate > 136.58 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 -0.5203 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7784 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3839 -1.8797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0854 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2476 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3842 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5467 -2.1217 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.2476 2.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5467 -1.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000651 > ALDRICH > 252778 > Hexyl chloroformate > 164.63 $$$$ 12 11 0 0 0 0 0 0 0 0 1 V2000 -0.5203 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7785 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8191 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0854 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6827 -1.8797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3842 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5545 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8456 -2.1217 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.5545 2.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9821 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8456 -1.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000652 > ALDRICH > 252808 > Octyl chloroformate > 192.68 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 0.1420 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1557 0.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0444 -1.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1446 -1.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 1.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1557 2.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6207 -0.1392 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8186 -2.3952 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1198 -3.0859 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6207 3.0859 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 2.9967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000801 > ALDRICH > 226505 > 2,2,2-Trichloro-1,1-dimethylethyl chloroformate > 239.91 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -1.2182 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5171 0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6534 0.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8083 -0.9519 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3876 2.3235 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.2113 3.3076 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8083 0.9438 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 -3.3076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00000810 > ALDRICH > 142077 > 2,2,2-Trichloroethyl chloroformate > 211.86 $$$$ 18 20 0 0 0 0 0 0 0 0 1 V2000 -2.3428 1.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3428 0.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6284 -0.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9139 0.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9139 1.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6284 1.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1293 -0.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3556 0.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1293 1.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1761 0.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5117 1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0268 2.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2063 2.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2832 -0.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1082 -0.7302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5207 -1.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1082 -2.1591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3428 -1.4446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 9 1 0 14 7 1 0 15 14 1 0 16 15 1 0 16 17 2 0 16 18 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00001138 > ALDRICH > 160512 > Fmoc chloride > 258.7 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 6.2503 -4.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5855 -7.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5513 -5.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2702 -4.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8836 -7.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3362 -7.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9493 -5.3473 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5943 -6.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8807 -6.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2962 -6.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5712 -8.6018 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.2833 -9.0130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8591 -9.0130 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 1 7 1 0 0 0 0 8 10 1 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 8 9 2 0 0 0 0 2 11 1 0 0 0 0 1 3 1 0 0 0 0 3 8 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 G 11 2 NO2 M CHG 2 11 1 13 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 11 12 13 M SBL 1 1 9 M SDI 1 4 5.3700 -8.3200 5.7700 -8.3300 M SMT 1 NO2 M SBV 1 9 0.0100 0.8100 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00007321 > ALDRICH > 160210 > 4-Nitrophenyl chloroformate > 201.56 $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 4.4901 -6.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4901 -6.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2034 -7.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9138 -6.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9138 -6.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2034 -5.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2034 -4.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -4.5102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6300 -4.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3433 -4.5102 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.6300 -5.7477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2034 -8.2203 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9155 -8.6314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4913 -8.6314 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 3 12 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 G 12 3 NO2 M CHG 2 12 1 14 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 12 13 14 M SBL 1 1 10 M SDI 1 4 4.9900 -7.9400 5.4000 -7.9400 M SMT 1 NO2 M SBV 1 10 0.0000 0.8200 M SDS EXP 1 1 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00007375 > ALDRICH > 222801 > 4-Nitrobenzyl chloroformate > 215.59 $$$$ 14 14 0 0 1 0 0 0 0 0 1 V2000 5.1678 -5.1269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7497 -5.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4601 -4.7287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8782 -4.7287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5859 -5.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1678 -5.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0391 -4.7287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7497 -5.9492 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8782 -3.9093 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5859 -5.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8782 -6.3704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5859 -3.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1678 -3.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8782 -7.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 1 3 1 1 0 0 0 1 4 1 0 0 0 0 4 5 1 0 0 0 0 1 6 1 0 0 0 0 2 7 2 0 0 0 0 2 8 1 0 0 0 0 4 9 1 6 0 0 0 10 11 1 0 0 0 0 6 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 11 14 1 1 0 0 0 5 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00009694 > ALDRICH > 245305 > (-)-(1R)-Menthyl chloroformate > 218.72 $$$$ 16 16 0 0 0 0 0 0 0 0 1 V2000 -3.0167 0.6399 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9366 1.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9366 2.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1033 2.0099 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1532 0.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6135 1.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5435 1.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0135 0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5435 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6135 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9966 0.6399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1033 1.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3335 -0.6449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5335 -0.1850 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8735 -1.4449 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -1.1150 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00012246 > ALDRICH > 316725 > alpha-Chloro-2-(trifluoromethyl)benzyl chloroformate > 273.04 $$$$ 10 9 0 0 0 0 0 0 0 0 1 V2000 1.0717 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.9760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.2615 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 -0.4530 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.6740 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 0.9760 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.9760 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 1 4 1 0 5 6 1 0 6 7 1 0 6 8 1 0 6 9 1 0 5 10 1 0 3 5 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00012247 > DiscoveryCPR > CPS2247 > (+/-)-1,2,2,2-TETRACHLOROETHYL CHLOROFORMATE > 246.304 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 0.9970 0.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 -0.4887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9012 -0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 2.2972 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6035 0.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1988 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9012 -2.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1988 -0.6572 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6035 2.2972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00012387 > ALDRICH > 316717 > 1-Chloro-2-methylpropyl chloroformate > 171.02 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -1.1907 1.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4882 0.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1066 0.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0834 1.6288 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4882 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1066 -0.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4491 1.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4491 -1.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7860 0.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7860 -0.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0835 -1.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00013255 > ALDRICH > 328758 > p-Tolyl chloroformate > 170.59 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 1.3421 1.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6421 0.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0421 0.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2403 1.7022 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6421 -1.2576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0421 -0.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 1.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 -1.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6363 0.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6363 -0.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2402 -1.7022 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00013256 > ALDRICH > 328707 > 4-Bromophenyl chloroformate > 235.46 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 1.1863 1.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4877 0.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1094 0.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 1.6266 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4877 -1.3238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1094 -0.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4443 1.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4443 -1.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7792 0.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7792 -0.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 -1.5986 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00013257 > ALDRICH > 328723 > 4-Fluorophenyl chloroformate > 174.56 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 2.0333 1.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3347 0.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7376 0.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9219 1.6266 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3347 -1.3238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7376 -0.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5973 1.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5973 -1.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9323 0.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9323 -0.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2280 -1.5986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9219 -0.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00013258 > ALDRICH > 322393 > 4-Methoxyphenyl chloroformate > 186.59 $$$$ 13 13 0 0 0 0 0 0 0 0 1 V2000 -1.4754 1.4107 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1748 2.1580 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.7760 2.1580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4754 0.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4472 -0.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5036 -0.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5507 0.2223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4472 -1.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5036 -1.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5532 -0.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4754 -2.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7760 0.3520 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5532 -1.9247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00013371 > ALDRICH > 328731 > 2-Nitrophenyl chloroformate > 201.56 $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 6.2672 -4.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5912 -8.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5912 -7.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5825 -5.2185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2616 -3.9696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8663 -8.8856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2958 -7.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8835 -7.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9921 -5.1899 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5854 -6.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8806 -6.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2902 -6.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1099 -8.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8219 -9.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 7 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 2 6 2 0 0 0 0 7 12 2 0 0 0 0 8 11 1 0 0 0 0 1 9 1 0 0 0 0 4 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 3 8 2 0 0 0 0 2 13 1 0 0 0 0 2 3 1 0 0 0 0 13 14 1 0 0 0 0 G 13 2 OCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 13 14 M SBL 1 1 12 M SMT 1 OCH3 M SBV 1 12 -0.5200 0.4500 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00013649 > FLUKA > 23205 > 4-Methoxycarbonylphenyl chloroformate > 214.6 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -2.2049 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 1.4098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0349 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0349 0.8398 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0349 -0.8398 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2049 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 4 1 0 0 0 0 2 3 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00015553 > FLUKA > 23261 > Trichloromethyl chloroformate > 197.83 $$$$ 20 19 0 0 0 0 0 0 0 0 1 V2000 1.3977 -4.9655 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1122 -4.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1122 -3.7226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8208 -4.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5333 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2458 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9583 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3833 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0958 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0929 -5.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8013 -6.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5172 -5.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5201 -4.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8072 -4.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3769 -6.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6639 -5.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9458 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -6.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 2 4 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 7 8 1 0 0 0 0 11 16 1 0 0 0 0 1 2 1 0 0 0 0 16 17 1 0 0 0 0 8 9 1 0 0 0 0 17 18 1 0 0 0 0 4 5 1 0 0 0 0 18 19 1 0 0 0 0 9 10 1 0 0 0 0 19 20 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00035954 > ALDRICH > 633186 > Cetyl chloroformate > 304.9 $$$$ 19 21 0 0 0 0 0 0 0 0 1 V2000 -0.1634 -0.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5041 0.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2491 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5759 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8308 0.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1279 1.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9349 1.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1898 0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6378 0.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3111 0.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8631 0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6082 1.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8012 1.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 -1.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8746 -1.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7214 -1.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4753 -1.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1898 -1.7355 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4753 -0.4980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 1 1 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 5 1 0 2 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 3 1 0 1 14 1 0 14 15 1 0 14 16 1 0 17 16 1 0 18 17 1 0 17 19 2 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00043429 > DiscoveryCPR > CPV3429 > (+)-1-(9-FLUORENYL)ETHYL CHLOROFORMATE, 97% > 272.73 $$$$ 8 7 0 0 0 1 V2000 -0.8759 -0.6138 0.0000 O 0 0 0 0 0 0 0 0 0 0.2862 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1759 -0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 1.5966 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3069 1.3966 0.0000 O 0 0 0 0 0 0 0 0 0 -3.3655 -0.8414 0.0000 Cl 0 0 0 0 0 0 0 0 0 2.7690 0.4138 0.0000 O 0 0 0 0 0 0 0 0 0 4.0793 -0.1724 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 3 5 2 0 0 0 3 6 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00058932 > DiscoveryCPR > CPW8932 > 2-Methoxyethyl chloroformate > 138.55 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -1.4438 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0313 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0313 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2687 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2063 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2063 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0313 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4438 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2687 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 1 4 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 3 5 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00058933 > DiscoveryCPR > CPW8933 > CHLOROFORMIC ACID N-AMYL ESTER, >95% > 150.604 $$$$ 16 15 0 0 0 0 0 0 0 0 1 V2000 -5.1509 0.4549 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.8519 1.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5529 0.4549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2539 1.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0449 0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 1.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6430 0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9420 1.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8519 2.7049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2409 0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2409 -1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9420 -1.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6430 -1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 -1.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0449 -1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2539 -1.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 9 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00059483 > ALDRICH > 518514 > Dodecyl chloroformate > 248.79 $$$$ 11 10 0 0 0 0 0 0 0 0 1 V2000 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 1 4 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 3 5 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00059484 > DiscoveryCPR > CPW9484 > CHLOROFORMIC ACID HEPTYL ESTER > 178.658 $$$$ 13 12 0 0 0 0 0 0 0 0 1 V2000 2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 1 4 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 3 5 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00059485 > DiscoveryCPR > CPW9485 > CHLOROFORMIC ACID N-NONYL ESTER, >95% > 206.711 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 -1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 1 4 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 5 14 2 0 9 14 1 0 3 6 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00060059 > DiscoveryCPR > CPX0059 > CHLOROFORMIC ACID 2-NAPHTHYL ESTER > 206.627 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -2.1434 -0.6173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 7 6 2 0 0 0 2 8 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00075518 > ALDRICH > 368555 > 3-Butenyl chloroformate > 134.56 $$$$ 6 5 0 0 0 0 0 0 0 0 1 V2000 0.4417 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 0.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -1.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -0.5583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0792 2.0708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00077688 > Fluka > 23181 > Chloromethyl chloroformate > 128.94 $$$$ 14 13 0 0 0 0 0 0 0 0 1 V2000 -3.5369 0.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 0.9699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 0.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3599 0.9699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6589 0.2199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9579 0.9699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2569 0.2199 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9579 2.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5369 -1.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 -2.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 -1.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3599 -2.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6589 -1.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9579 -2.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00126853 > ALDRICH > 549339 > Decyl chloroformate > 220.74 $$$$ 9 8 0 0 0 0 0 0 0 0 1 V2000 -0.0617 -0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3592 -1.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6567 -0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7524 -0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2519 -1.4772 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6567 1.4772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6567 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2519 -0.1629 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00134472 > ALDRICH > 378178 > 4-Chlorobutyl chloroformate > 171.02 $$$$ 14 14 0 0 1 0 0 0 0 0 1 V2000 5.5583 -6.2792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9833 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2708 -6.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8458 -6.6917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1292 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5583 -5.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9833 -5.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -6.6917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8458 -7.5167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1292 -5.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8458 -5.0417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1333 -7.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -7.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8458 -4.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 1 3 1 6 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 2 1 0 0 0 0 4 9 1 1 0 0 0 10 11 1 0 0 0 0 11 6 1 0 0 0 0 12 9 1 0 0 0 0 13 9 1 0 0 0 0 11 14 1 6 0 0 0 5 10 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00134483 > ALDRICH > 378712 > (1S)-(+)-Menthyl chloroformate > 218.72 $$$$ 18 18 0 0 0 0 0 0 0 0 1 V2000 6.8138 -6.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8138 -6.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1005 -7.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3859 -6.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3859 -6.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1005 -5.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1005 -4.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1010 -8.1275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8140 -8.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6655 -7.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9443 -6.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3833 -4.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -4.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6649 -5.6417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.5357 -5.6337 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.5357 -4.8115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2477 -6.0448 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 8 9 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 10 11 1 0 0 0 0 4 5 1 0 0 0 0 7 12 1 0 0 0 0 5 6 2 0 0 0 0 12 13 1 0 0 0 0 1 6 1 0 0 0 0 13 14 2 0 0 0 0 6 7 1 0 0 0 0 13 15 1 0 0 0 0 3 8 1 0 0 0 0 4 10 1 0 0 0 0 1 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 G 10 4 OCH3 G 8 3 OCH3 G 16 1 NO2 M CHG 2 16 1 18 -1 M STY 3 1 SUP 2 SUP 3 SUP M SLB 3 1 1 2 2 3 3 M SAL 1 2 10 11 M SBL 1 1 15 M SDI 1 4 4.7900 -6.9900 5.0000 -7.3400 M SMT 1 OCH3 M SBV 1 15 0.7200 0.4200 M SAL 2 2 8 9 M SBL 2 1 14 M SDI 2 4 5.8900 -7.8500 6.3000 -7.8500 M SMT 2 OCH3 M SBV 2 14 0.0000 0.8200 M SAL 3 3 16 17 18 M SBL 3 1 16 M SMT 3 NO2 M SBV 3 16 -0.7200 -0.4200 M SDS EXP 2 1 2 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00143507 > ALDRICH > 420069 > 4,5-Dimethoxy-2-nitrobenzyl chloroformate > 275.64 $$$$ 9 8 0 0 0 1 V2000 1.0586 1.1241 0.0000 C 0 0 3 0 0 0 0 0 0 -0.1414 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0.3138 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 2.2586 0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 1.8966 2.4345 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1414 -0.9862 0.0000 O 0 0 0 0 0 0 0 0 0 -1.3448 -1.7138 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3621 -3.1310 0.0000 O 0 0 0 0 0 0 0 0 0 -2.5448 -0.9862 0.0000 Cl 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 2 6 1 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 7 9 1 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00274354 > ALDRICH > 460931 > Neopentyl chloroformate > 150.6 $$$$ 16 16 0 0 0 0 0 0 0 0 1 V2000 -2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 1.4289 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4289 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.4289 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.4289 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4289 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 1 4 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 6 11 2 0 11 12 1 0 10 13 1 0 9 14 1 0 8 15 1 0 7 16 1 0 3 5 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00798136 > DiscoveryCPR > CSS8136 > 2,3,4,5,6-PENTAFLUOROBENZYL CHLOROFORMATE > 260.545 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 2.4749 -1.1775 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 0.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8049 1.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7649 1.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2350 0.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7649 -0.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8049 -0.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 0.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8849 1.0585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0749 1.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 0.2274 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 1.8904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD00804541 > ALDRICH > 493791 > 2-Chlorobenzyl chloroformate > 205.04 $$$$ 16 17 0 0 0 0 0 0 0 0 1 V2000 -1.9861 -0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9861 -1.4720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2716 -0.2345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7005 -0.2345 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5571 -0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 0.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0505 0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2436 0.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1573 -0.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9110 -0.5700 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 1.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 1.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7005 0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 0.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5785 -1.0550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4985 -1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 1 4 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 6 10 1 0 11 12 1 0 12 13 2 0 13 14 1 0 6 14 2 0 7 11 2 0 5 9 1 0 10 15 2 0 10 16 2 0 3 5 1 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD01090984 > DiscoveryCPR > CTW0984 > 1,1-DIOXOBENZO[B]THIOPHEN-2-YLMETHYL CHLOROFORMATE, > 258.68 $$$$ 7 6 0 0 0 0 0 0 0 0 1 V2000 -3.5024 -0.0149 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2035 -0.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9045 -0.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3945 -0.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6934 -0.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9924 -0.7649 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6934 1.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD01726287 > ALDRICH > 525138 > 2-Fluoroethyl chloroformate > 126.51 $$$$ 14 15 0 0 0 0 0 0 0 0 1 V2000 1.0542 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 0.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 1.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 0.6417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0542 -0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0542 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 -0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 -1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 2 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 9 2 0 0 0 0 12 7 2 0 0 0 0 13 10 1 0 0 0 0 14 13 2 0 0 0 0 11 7 1 0 0 0 0 14 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD01726288 > FLUKA > 23215 > 1-Naphthyl chloroformate > 206.63 $$$$ 12 12 0 0 0 0 0 0 0 0 1 V2000 -3.2324 -0.2649 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9335 0.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6345 -0.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9335 1.9850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6645 0.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9634 -0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2624 0.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2624 1.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9634 2.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6645 1.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9634 -1.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6645 -2.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD02093715 > ALDRICH > 518433 > 2-Methoxyphenyl chloroformate > 186.59 $$$$ 11 11 0 0 0 0 0 0 0 0 1 V2000 -3.2324 -0.6399 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9335 0.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6345 -0.6399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9335 1.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6645 0.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9634 -0.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2624 0.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2624 1.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9634 2.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6645 1.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9634 -2.1399 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD02093716 > ALDRICH > 518441 > 2-Chlorophenyl chloroformate > 191.01 $$$$ 8 7 0 0 0 0 0 0 0 0 1 V2000 -2.1434 -0.6173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.6173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 2 8 2 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD02093717 > ALDRICH > 518468 > 3-Chloropropyl chloroformate > 157 $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 -4.7465 -0.3149 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4475 0.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1485 -0.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4475 1.9349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8495 0.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4494 -0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7484 0.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7484 1.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4494 2.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8495 1.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0474 -0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3464 0.4350 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0474 -1.8149 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0474 1.1849 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD02093719 > ALDRICH > 518506 > 3-(Trifluoromethyl)phenyl chloroformate > 224.56 $$$$ 14 14 0 0 0 0 0 0 0 0 1 V2000 -5.8604 1.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8604 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5615 -1.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2624 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2624 1.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5615 1.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9634 -1.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6645 -0.4650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6345 -1.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9335 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2325 -1.2149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5314 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8304 -1.2149 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5314 1.0349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD02093785 > ALDRICH > 525146 > 2-Benzyloxyethyl chloroformate > 214.65 $$$$ 26 28 0 0 0 0 0 0 0 0 1 V2000 -1.7070 3.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 1.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4079 1.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8909 1.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8909 3.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0060 4.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3049 3.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3049 1.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0060 1.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 1.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4889 1.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4889 3.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 4.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6040 1.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9029 1.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6040 -0.4399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6040 2.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7879 1.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0869 1.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7879 -0.4399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7879 2.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4079 -0.4399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8909 -1.1899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8909 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -3.4399 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4079 -3.4399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 13 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 M END > (C) 2008 SIGMA-ALDRICH CO. > MFCD03701519 > ALDRICH > 551007 > 2,7-Di-tert-butyl-9-fluorenylmethyl chloroformate > 370.91 $$$$