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2-Chloro-pyridine-3-sulfonyl chloride
2-Chloro-pyridine-3-sulfonyl chloride ID: API-9381
CAS:6684-06-6
Supplier:APIchem

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SMILES:S(=O)(=O)(c1c(nccc1)Cl)Cl	ChemMol.com
FORMULA: C5H3Cl2NO2S
MASS: 212.0538
EXACT MASS: 210.9261547
INTERATOMIC DISTANCES

              S   1      C   2      C   3      O   4      O   5      N   6
              ------------------------------------------------------------------
   S   1    0.0000 
   C   2    0.8250     0.0000 
   C   3    1.4187     0.8192     0.0000 
   O   4    0.8269     1.4280     2.1739     0.0000 
   O   5    0.8212     1.4264     1.6375     1.4292     0.0000 
   N   6    2.1847     1.4316     0.8375     2.8596     2.4750     0.0000 
  Cl   7    0.8250     1.6500     2.1702     0.8341     0.8183     2.9752 
  Cl   8    1.6451     1.4250     0.8171     2.4720     1.4259     1.4280 
   C   9    1.4229     0.8192     1.4250     1.6417     2.1735     1.6529 
   C  10    2.4792     1.6542     1.4388     2.9782     2.9751     0.8233 
   C  11    2.1874     1.4316     1.6529     2.4792     2.8580     1.4250 

             Cl   7     Cl   8      C   9      C  10      C  11
              -------------------------------------------------------
  Cl   7    0.0000 
  Cl   8    2.1752     0.0000 
   C   9    2.1784     2.1746     0.0000 
   C  10    3.3042     2.1802     1.4388     0.0000 
   C  11    2.9812     2.4699     0.8375     0.8233     0.0000 



ATOMIC CHARGES
   S   1    0.0831504263
   C   2    0.1505738422
   C   3    0.1566808123
   O   4   -0.1528350793
   O   5   -0.1528350793
   N   6   -0.2310677173
  Cl   7    0.0604018513
  Cl   8   -0.0599151246
   C   9    0.0238096274
   C  10    0.0999301931
   C  11    0.0221062479


BOND ANGLES
   2    1    4  Car  So2   O2    119.631
   2    1    5  Car  So2   O2    120.107
   2    1    7  Car  So2   Cl    179.715
   4    1    5   O2  So2   O2    120.262
   4    1    7   O2  So2   Cl     60.654
   5    1    7   O2  So2   Cl     59.609
   1    2    3  So2  Car  Car    119.274
   1    2    9  So2  Car  Car    119.858
   3    2    9  Car  Car  Car    120.868
   2    3    6  Car  Car  Nar    119.566
   2    3    8  Car  Car   Cl    121.124
   6    3    8  Nar  Car   Cl    119.310
   3    6   10  Car  Nar  Car    120.069
   2    9   11  Car  Car  Car    119.566
   6   10   11  Nar  Car  Car    119.863
   9   11   10  Car  Car  Car    120.069


TORSION ANGLES
   3    2    1    4    179.974
   3    2    1    5      0.026
   3    2    1    7      0.026
   9    2    1    4      0.026
   9    2    1    5    179.974
   9    2    1    7    179.974
   6    3    2    1    179.974
   6    3    2    9      0.026
   8    3    2    1      0.026
   8    3    2    9    179.974
  10    6    3    2      0.026
  10    6    3    8    179.974
  11    9    2    1    179.974
  11    9    2    3      0.026
   6   10   11    9      0.026
  10   11    9    2      0.026
   3    6   10   11      0.026