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(3-FLUORO-PHENYL)-METHANESULFONYL CHLORIDE
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ID: BP-10540
CAS:24974-72-9 Supplier:BroadPharm SMILES:S(=O)(=O)(Cc1cc(F)ccc1)Cl FORMULA: C7H6ClFO2S
MASS: 208.6377
EXACT MASS: 207.9761063
INTERATOMIC DISTANCES
S 1 O 2 O 3 C 4 Cl 5 C 6
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S 1 0.0000
O 2 1.6208 0.0000
O 3 1.7000 3.3208 0.0000
C 4 1.7000 2.3488 2.4042 0.0000
Cl 5 1.7375 2.3761 2.4308 3.4375 0.0000
C 6 2.9608 2.5662 4.0865 1.7158 4.5486 0.0000
C 7 3.4156 2.1657 4.9628 2.9625 4.5379 1.7123
C 8 5.1314 3.8141 6.6586 4.5287 6.1851 2.9625
F 9 6.1600 4.6239 7.8081 5.9208 6.8463 4.5205
C 10 5.9233 5.3018 6.9316 4.5316 7.4785 2.9624
C 11 4.5172 4.2689 5.3234 2.9645 6.1847 1.7042
C 12 6.1620 5.1172 7.4817 5.1335 7.4710 3.4177
C 7 C 8 F 9 C 10 C 11 C 12
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C 7 0.0000
C 8 1.7158 0.0000
F 9 2.9583 1.7087 0.0000
C 10 3.4292 2.9645 4.5289 0.0000
C 11 2.9624 3.4177 5.1263 1.7123 0.0000
C 12 2.9645 1.7042 2.9603 1.7158 2.9625 0.0000
ATOMIC CHARGES
S 1 0.0658374651
O 2 -0.1570703480
O 3 -0.1570703480
C 4 0.1955003099
Cl 5 0.0556915163
C 6 0.0050208984
C 7 0.0271170661
C 8 0.1398820419
F 9 -0.2041816411
C 10 0.0020342025
C 11 -0.0023793627
C 12 0.0296181996
BOND ANGLES
12 8 7 Car Car Car 120.177
8 7 6 Car Car Car 119.577
7 8 12 Car Car Car 120.177
8 12 10 Car Car Car 120.177
TORSION ANGLES
6 4 1 2 0.026
6 4 1 3 179.974
6 4 1 5 180.000
7 6 4 1 0.026
11 6 4 1 179.974
8 7 6 4 179.974
8 7 6 11 0.026
9 8 7 6 179.974
12 8 7 6 0.026
12 10 11 6 0.026
10 11 6 4 179.974
10 11 6 7 0.026
8 12 10 11 0.026
7 8 12 10 0.026
9 8 12 10 179.974
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