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1,8-Dichloronaphthalene
1,8-Dichloronaphthalene ID: 6865
CAS:2050-74-0
Supplier:SYNCHEM OHG

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SMILES:c12c(Cl)cccc2cccc1Cl	
FORMULA: C10H6Cl2
MASS: 197.0606
EXACT MASS: 195.9846556
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4     Cl   5     Cl   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8233     0.0000 
   C   3    0.8254     1.4250     0.0000 
   C   4    0.8250     1.4280     1.4316     0.0000 
  Cl   5    1.4301     0.8250     1.6481     2.1835     0.0000 
  Cl   6    1.4367     1.6493     0.8333     2.1926     1.4251     0.0000 
   C   7    1.6517     2.4750     1.4321     1.4333     2.9764     2.1940 
   C   8    1.6466     1.4280     2.4720     1.4250     2.1807     2.9760 
   C   9    1.4251     2.1746     0.8192     1.6529     2.4673     1.4301 
   C  10    1.4250     0.8233     2.1777     1.6466     1.4259     2.4725 
   C  11    1.4321     2.1856     1.6542     0.8305     2.8622     2.4875 
   C  12    1.4280     1.6500     2.1833     0.8233     2.4750     2.8647 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.8583     0.0000 
   C   9    0.8333     2.9705     0.0000 
   C  10    2.9738     0.8250     2.8500     0.0000 
   C  11    0.8254     2.1851     1.4347     2.4771     0.0000 
   C  12    2.1859     0.8233     2.4762     1.4280     1.4333     0.0000 




ATOMIC CHARGES
   C   1    0.0211562794
   C   2    0.0584592142
   C   3    0.0584592142
   C   4    0.0016286439
  Cl   5   -0.0822177058
  Cl   6   -0.0822177058
   C   7    0.0008661823
   C   8    0.0008661823
   C   9    0.0114204488
   C  10    0.0114204488
   C  11    0.0000793988
   C  12    0.0000793988


BOND ANGLES
   9    7   11  Car  Car  Car    119.750
   7   11    4  Car  Car  Car    119.897
  10    8   12  Car  Car  Car    120.069
   8   12    4  Car  Car  Car    119.863
  11    7    9  Car  Car  Car    119.750
   7    9    3  Car  Car  Car    120.137
  12    8   10  Car  Car  Car    120.069
   8   10    2  Car  Car  Car    120.069


TORSION ANGLES
   5    2    1    3      0.026
   5    2    1    4    179.974
  10    2    1    3    179.974
  10    2    1    4      0.026
   6    3    1    2      0.026
   6    3    1    4    179.974
   9    3    1    2    179.974
   9    3    1    4      0.026
  11    4    1    2    179.974
  11    4    1    3      0.026
  12    4    1    2      0.026
  12    4    1    3    179.974
   9    7   11    4      0.026
  10    8   12    4      0.026
   7    9    3    1      0.026
   7    9    3    6    179.974
   8   10    2    1      0.026
   8   10    2    5    179.974
   7   11    4    1      0.026
   7   11    4   12    179.974
   8   12    4    1      0.026
   8   12    4   11    179.974
  11    7    9    3      0.026
  12    8   10    2      0.026