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2,6-dichlorophenol
2,6-dichlorophenol ID: B187212
CAS:87-65-0
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(c(Cl)cccc1Cl)O	
FORMULA: C6H4Cl2O
MASS: 163.0014
EXACT MASS: 161.9639201
INTERATOMIC DISTANCES

              C   1      C   2      C   3      O   4     Cl   5     Cl   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7463     0.0000 
   C   3    0.7463     1.3000     0.0000 
   O   4    0.7500     1.2921     1.2921     0.0000 
  Cl   5    1.3000     0.7463     1.9842     1.5008     0.0000 
  Cl   6    1.2917     1.9776     0.7432     1.4895     2.5917     0.0000 
   C   7    1.4917     1.2993     1.2993     2.2417     1.9787     1.9795 
   C   8    1.2921     0.7500     1.5008     1.9766     1.2921     2.2441 
   C   9    1.2921     1.5008     0.7500     1.9766     2.2471     1.2951 

              C   7      C   8      C   9
              ---------------------------------
   C   7    0.0000 
   C   8    0.7504     0.0000 
   C   9    0.7504     1.3000     0.0000 



ATOMIC CHARGES
   C   1    0.2165282709
   C   2    0.0973436112
   C   3    0.0973436112
   O   4   -0.2847609115
  Cl   5   -0.0788802912
  Cl   6   -0.0788802912
   C   7    0.0019386948
   C   8    0.0146836529
   C   9    0.0146836529


BOND ANGLES
   2    1    3  Car  Car  Car    121.141
   2    1    4  Car  Car   O3    119.430
   3    1    4  Car  Car   O3    119.430
   1    2    5  Car  Car   Cl    121.141
   1    2    8  Car  Car  Car    119.430
   5    2    8   Cl  Car  Car    119.430
   1    3    6  Car  Car   Cl    120.269
   1    3    9  Car  Car  Car    119.430
   6    3    9   Cl  Car  Car    120.301
   8    7    9  Car  Car  Car    120.037
   2    8    7  Car  Car  Car    119.982
   3    9    7  Car  Car  Car    119.982


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