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2-chloroethanesulfonyl chloride
2-chloroethanesulfonyl chloride ID: AN-49556
CAS:1622-32-8
Supplier:AN PharmaTech Co Ltd

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SMILES:ClS(=O)(=O)CCCl	15385
FORMULA: C2H4Cl2O2S
MASS: 163.0230
EXACT MASS: 161.9309057
INTERATOMIC DISTANCES

             Cl   1     Cl   2      S   3      O   4      O   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
  Cl   2    3.6055     0.0000 
   S   3    1.0000     2.6458     0.0000 
   O   4    1.4142     3.1196     1.0000     0.0000 
   O   5    1.4142     2.5036     1.0000     2.0000     0.0000 
   C   6    2.0000     1.7321     1.0000     1.4142     1.4142     0.0000 
   C   7    2.6458     1.0000     1.7321     2.3942     1.5060     1.0001 
   H   8    2.5913     1.4155     1.5968     1.7680     1.9934     0.6200 
   H   9    1.9884     2.1829     1.0812     0.9736     1.8412     0.6199 
   H  10    2.1997     1.5967     1.4156     2.2716     0.9208     1.0812 
   H  11    2.9967     1.0812     2.1829     2.9526     1.6768     1.5968 

              C   7      H   8      H   9      H  10      H  11
              -------------------------------------------------------
   C   7    0.0000 
   H   8    1.0812     0.0000 
   H   9    1.5968     0.7971     0.0000 
   H  10    0.6199     1.4514     1.6888     0.0000 
   H  11    0.6199     1.6887     2.2063     0.7970     0.0000 



ATOMIC CHARGES
  Cl   1    0.0545999686
  Cl   2   -0.1237069005
   S   3    0.0520250964
   O   4   -0.1580648800
   O   5   -0.1580648800
   C   6    0.0955505040
   C   7    0.0433043010
   H   8    0.0525927933
   H   9    0.0525927933
   H  10    0.0445856019
   H  11    0.0445856019


BOND ANGLES
   1    3    4   Cl  So2   O2     90.000
   1    3    5   Cl  So2   O2     90.000
   1    3    6   Cl  So2   C3    179.974
   4    3    5   O2  So2   O2    179.974
   4    3    6   O2  So2   C3     90.000
   5    3    6   O2  So2   C3     90.000
   3    6    7  So2   C3   C3    120.001
   3    6    8  So2   C3   HC    160.009
   3    6    9  So2   C3   HC     80.000
   7    6    8   C3   C3   HC     79.990
   7    6    9   C3   C3   HC    159.999
   8    6    9   HC   C3   HC     80.009
   2    7    6   Cl   C3   C3    120.001
   2    7   10   Cl   C3   HC    160.002
   2    7   11   Cl   C3   HC     80.000
   6    7   10   C3   C3   HC     79.997
   6    7   11   C3   C3   HC    159.999
  10    7   11   HC   C3   HC     80.002


TORSION ANGLES
   1    3    6    7    180.000
   1    3    6    8    180.000
   1    3    6    9    180.000
   4    3    6    7    179.974
   4    3    6    8      0.026
   4    3    6    9      0.026
   5    3    6    7      0.026
   5    3    6    8    179.974
   5    3    6    9    179.974
   3    6    7    2    179.974
   3    6    7   10      0.026
   3    6    7   11      0.026
   8    6    7    2      0.026
   8    6    7   10    179.974
   8    6    7   11    179.974
   9    6    7    2      0.026
   9    6    7   10    179.974
   9    6    7   11    179.974