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2-Bromo-4-chloroaniline
2-Bromo-4-chloroaniline ID: API-42688
CAS:873-38-1
Supplier:APIchem

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SMILES:Brc1c(N)ccc(Cl)c1	ChemMol.com
FORMULA: C6H5BrClN
MASS: 206.4676
EXACT MASS: 204.9293888
INTERATOMIC DISTANCES

             Br   1     Cl   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Br   1    0.0000 
  Cl   2    3.4641     0.0000 
   N   3    2.0000     4.0000     0.0000 
   C   4    1.7320     3.0000     1.0000     0.0000 
   C   5    1.0000     2.6457     1.7320     1.0000     0.0000 
   C   6    2.6458     2.6458     1.7321     1.0001     1.7321     0.0000 
   C   7    1.7320     1.7320     2.6457     1.7320     1.0000     2.0000 
   C   8    3.0000     1.7321     2.6458     1.7321     2.0000     1.0000 
   C   9    2.6457     1.0000     3.0000     2.0000     1.7320     1.7321 
   H  10    3.1408     3.1408     1.8397     1.4158     2.2901     0.6200 
   H  11    1.8397     1.8396     3.1407     2.2900     1.4158     2.6200 
   H  12    3.6200     1.8397     3.1408     2.2901     2.6200     1.4158 
   H  13    2.6200     4.3433     0.6201     1.4158     2.2901     1.8397 
   H  14    1.7732     4.3433     0.6200     1.4158     1.8397     2.2901 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7321     0.0000 
   C   9    1.0000     1.0001     0.0000 
   H  10    2.6200     1.4158     2.2901     0.0000 
   H  11    0.6200     2.2901     1.4157     3.2400     0.0000 
   H  12    2.2901     0.6200     1.4158     1.6200     2.8059     0.0000 
   H  13    3.1408     2.8292     3.3533     1.7320     3.6739     3.2380 
   H  14    2.8292     3.1408     3.3533     2.4522     3.2380     3.6739 

              H  13      H  14
              ----------------------
   H  13    0.0000 
   H  14    1.0739     0.0000 



ATOMIC CHARGES
  Br   1   -0.0483500538
  Cl   2   -0.0835056159
   N   3   -0.3571081794
   C   4    0.0387773920
   C   5    0.0398541023
   C   6   -0.0385926808
   C   7   -0.0276264214
   C   8   -0.0415865427
   C   9    0.0421352331
   H  10    0.0636657560
   H  11    0.0643672180
   H  12    0.0632647124
   H  13    0.1423525401
   H  14    0.1423525401


BOND ANGLES
   4    3   13  Car  Npl   HC    119.997
   4    3   14  Car  Npl   HC    120.002
  13    3   14   HC  Npl   HC    120.001
   3    4    5  Npl  Car  Car    120.001
   3    4    6  Npl  Car  Car    119.998
   5    4    6  Car  Car  Car    120.001
   1    5    4   Br  Car  Car    119.999
   1    5    7   Br  Car  Car    120.001
   4    5    7  Car  Car  Car    120.001
   4    6    8  Car  Car  Car    119.998
   4    6   10  Car  Car   HC    120.000
   8    6   10  Car  Car   HC    120.002
   5    7    9  Car  Car  Car    120.001
   5    7   11  Car  Car   HC    120.002
   9    7   11  Car  Car   HC    119.998
   6    8    9  Car  Car  Car    119.998
   6    8   12  Car  Car   HC    120.002
   9    8   12  Car  Car   HC    120.000
   2    9    7   Cl  Car  Car    120.001
   2    9    8   Cl  Car  Car    119.998
   7    9    8  Car  Car  Car    120.001


TORSION ANGLES
  13    3    4    5    179.974
  13    3    4    6      0.026
  14    3    4    5      0.026
  14    3    4    6    179.974
   3    4    5    1      0.026
   3    4    5    7    179.974
   6    4    5    1    179.974
   6    4    5    7      0.026
   3    4    6    8    179.974
   3    4    6   10      0.026
   5    4    6    8      0.026
   5    4    6   10    179.974
   1    5    7    9    179.974
   1    5    7   11      0.026
   4    5    7    9      0.026
   4    5    7   11    179.974
   4    6    8    9      0.026
   4    6    8   12    179.974
  10    6    8    9    179.974
  10    6    8   12      0.026
   5    7    9    2    179.974
   5    7    9    8      0.026
  11    7    9    2      0.026
  11    7    9    8    179.974
   6    8    9    2    179.974
   6    8    9    7      0.026
  12    8    9    2      0.026
  12    8    9    7    179.974