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2-iodobenzene-1-sulfonyl chloride
2-iodobenzene-1-sulfonyl chloride ID: B187275
CAS:63059-29-0
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:S(=O)(=O)(c1c(I)cccc1)Cl	
FORMULA: C6H4ClIO2S
MASS: 302.5172
EXACT MASS: 301.8665260
INTERATOMIC DISTANCES

              S   1      C   2      O   3      O   4      C   5     Cl   6
              ------------------------------------------------------------------
   S   1    0.0000 
   C   2    0.7468     0.0000 
   O   3    0.7483     1.0612     0.0000 
   O   4    0.7504     1.0572     1.4987     0.0000 
   C   5    1.2972     0.7500     1.7962     1.1259     0.0000 
  Cl   6    0.7504     1.4972     1.0572     1.0612     1.9822     0.0000 
   I   7    1.5000     1.2972     2.1817     0.9290     0.7468     1.9845 
   C   8    1.2958     0.7504     1.1305     1.7928     1.2993     1.9816 
   C   9    1.9822     1.2993     2.3405     1.8746     0.7504     2.7022 
   C  10    1.9816     1.3000     1.8792     2.3370     1.5008     2.7020 
   C  11    2.2476     1.5008     2.3730     2.3689     1.3000     2.9980 

              I   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   I   7    0.0000 
   C   8    1.9822     0.0000 
   C   9    1.2958     1.5000     0.0000 
   C  10    2.2476     0.7504     1.2993     0.0000 
   C  11    1.9816     1.2993     0.7504     0.7500     0.0000 



ATOMIC CHARGES
   S   1    0.0812776874
   C   2    0.1275766277
   O   3   -0.1528967485
   O   4   -0.1528967485
   C   5    0.0485121942
  Cl   6    0.0603344775
   I   7   -0.0411409618
   C   8    0.0202092546
   C   9    0.0071171307
   C  10    0.0013910704
   C  11    0.0005160162


BOND ANGLES
   2    1    3  Car  So2   O2     90.440
   2    1    4  Car  So2   O2     89.839
   2    1    6  Car  So2   Cl    179.839
   3    1    4   O2  So2   O2    179.721
   3    1    6   O2  So2   Cl     89.721
   4    1    6   O2  So2   Cl     90.000
   1    2    5  So2  Car  Car    120.143
   1    2    8  So2  Car  Car    119.876
   5    2    8  Car  Car  Car    119.982
   2    5    7  Car  Car    I    120.143
   2    5    9  Car  Car  Car    119.982
   7    5    9    I  Car  Car    119.876
   2    8   10  Car  Car  Car    120.037
   5    9   11  Car  Car  Car    120.037
   8   10   11  Car  Car  Car    119.982
   9   11   10  Car  Car  Car    119.982


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