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3-Bromo-4-chlorobenzonitrile
3-Bromo-4-chlorobenzonitrile ID: API-9395
CAS:948549-53-9
Supplier:APIchem

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SMILES:c1cc(cc(c1Cl)Br)C#N	ChemMol.com
FORMULA: C7H3BrClN
MASS: 216.4624
EXACT MASS: 214.9137388
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8274     0.0000 
   C   3    1.4310     0.8256     0.0000 
   C   4    1.6520     1.4313     0.8271     0.0000 
   C   5    1.4272     1.6525     1.4340     0.8305     0.0000 
   C   6    0.8229     1.4305     1.6530     1.4326     0.8240     0.0000 
   C   7    2.1851     1.4294     0.8250     1.4308     2.1885     2.4780 
   N   8    2.4776     1.6502     1.4289     2.1848     2.8629     2.9769 
  Br   9    2.1808     2.4776     2.1880     1.4339     0.8251     1.4283 
  Cl  10    1.4266     2.1839     2.4780     2.1868     1.4277     0.8250 

              C   7      N   8     Br   9     Cl  10
              --------------------------------------------
   C   7    0.0000 
   N   8    0.8250     0.0000 
  Br   9    2.8647     3.6020     0.0000 
  Cl  10    3.3030     3.7826     1.6486     0.0000 



ATOMIC CHARGES
   C   1    0.0125804406
   C   2    0.0111732231
   C   3    0.0689910555
   C   4    0.0178171682
   C   5    0.0457809409
   C   6    0.0638898614
   C   7    0.1004296846
   N   8   -0.1908304626
  Br   9   -0.0481013385
  Cl  10   -0.0817305731


BOND ANGLES
   2    1    6  Car  Car  Car    120.185
   1    2    3  Car  Car  Car    119.926
   2    3    7  Car  Car   C1    119.995
   2    3    4  Car  Car  Car    120.004
   4    3    7  Car  Car   C1    120.001
   3    4    5  Car  Car  Car    119.787
   6    5    9  Car  Car   Br    120.020
   4    5    6  Car  Car  Car    119.967
   4    5    9  Car  Car   Br    120.013
   1    6    5  Car  Car  Car    120.132
   5    6   10  Car  Car   Cl    119.940
   1    6   10  Car  Car   Cl    119.928
   3    7    8  Car   C1   N1    119.997


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