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o-chlorobenzoic acid
o-chlorobenzoic acid ID: B187208
CAS:118-91-2
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(C(=O)O)c(Cl)cccc1	
FORMULA: C7H5ClO2
MASS: 156.5664
EXACT MASS: 155.9978071
INTERATOMIC DISTANCES

              C   1      C   2      C   3      O   4      O   5     Cl   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7504     0.0000 
   C   3    0.7500     1.2993     0.0000 
   O   4    1.2993     0.7500     1.9845     0.0000 
   O   5    1.3000     0.7504     1.5008     1.2993     0.0000 
  Cl   6    1.2993     1.5000     0.7504     2.2500     1.2993     0.0000 
   C   7    0.7504     1.3000     1.2993     1.5008     1.9857     1.9849 
   C   8    1.2993     1.9849     0.7504     2.5986     2.2512     1.3000 
   C   9    1.3000     1.9857     1.5008     2.2512     2.6000     2.2512 
   C  10    1.5008     2.2512     1.3000     2.7052     2.7060     1.9857 

              C   7      C   8      C   9      C  10
              --------------------------------------------
   C   7    0.0000 
   C   8    1.5000     0.0000 
   C   9    0.7504     1.2993     0.0000 
   C  10    1.2993     0.7504     0.7500     0.0000 



ATOMIC CHARGES
   C   1    0.0903087394
   C   2    0.3885712106
   C   3    0.0640208004
   O   4   -0.2405220550
   O   5   -0.2405220550
  Cl   6   -0.0820298203
   C   7    0.0074316011
   C   8    0.0116060176
   C   9    0.0002647048
   C  10    0.0008708562


BOND ANGLES
   2    1    3  Cac  Car  Car    119.982
   2    1    7  Cac  Car  Car    120.037
   3    1    7  Car  Car  Car    119.982
   1    2    4  Car  Cac O.co2    119.982
   1    2    5  Car  Cac O.co2    120.037
   4    2    5 O.co2  Cac O.co2    119.982
   1    3    6  Car  Car   Cl    119.982
   1    3    8  Car  Car  Car    119.982
   6    3    8   Cl  Car  Car    120.037
   1    7    9  Car  Car  Car    120.037
   3    8   10  Car  Car  Car    120.037
   7    9   10  Car  Car  Car    119.982
   8   10    9  Car  Car  Car    119.982


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