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2,6-Dibromo-4-chloroaniline
2,6-Dibromo-4-chloroaniline ID: API-42704
CAS:874-17-9
Supplier:APIchem

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SMILES:Brc1c(N)c(Br)cc(Cl)c1	ChemMol.com
FORMULA: C6H4Br2ClN
MASS: 285.3637
EXACT MASS: 282.8399008
INTERATOMIC DISTANCES

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

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.0000     0.0000 
   C   9    1.0000     1.7321     0.0000 
   C  10    1.7320     1.0001     1.0000     0.0000 
   H  11    2.6200     0.6200     2.2901     1.4158     0.0000 
   H  12    1.4158     2.2901     0.6200     1.4157     2.8059     0.0000 
   H  13    2.2901     2.8292     3.1408     3.3533     3.2380     3.6739 
   H  14    1.8397     3.1408     2.8292     3.3533     3.6739     3.2380 

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



ATOMIC CHARGES
  Br   1   -0.0483145289
  Br   2   -0.0483145289
  Cl   3   -0.0834712252
   N   4   -0.3562556670
   C   5    0.0529217972
   C   6    0.0409343757
   C   7    0.0409343757
   C   8   -0.0275582321
   C   9   -0.0275582321
   C  10    0.0431808309
   H  11    0.0643680594
   H  12    0.0643680594
   H  13    0.1423824579
   H  14    0.1423824579


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


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