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4-Bromopyridine hydrochloride
4-Bromopyridine hydrochloride ID: API-9405
CAS:19524-06-2
Supplier:APIchem

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SMILES:Brc1ccncc1	ChemMol.com
FORMULA: C5H4BrN
MASS: 157.9960
EXACT MASS: 156.9527111
INTERATOMIC DISTANCES

             Br   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Br   1    0.0000 
   N   2    3.0000     0.0000 
   C   3    1.0000     2.0000     0.0000 
   C   4    1.7320     1.7320     1.0000     0.0000 
   C   5    1.7320     1.7320     1.0000     1.7320     0.0000 
   C   6    2.6457     1.0000     1.7320     1.0000     2.0000     0.0000 
   C   7    2.6457     1.0000     1.7320     2.0000     1.0000     1.7320 
   H   8    1.8397     2.2901     1.4158     0.6201     2.2901     1.4158 
   H   9    1.8396     2.2900     1.4157     2.2900     0.6200     2.6199 
   H  10    3.1408     1.4158     2.2901     1.4158     2.6200     0.6201 
   H  11    3.1407     1.4157     2.2900     2.6199     1.4158     2.2900 

              C   7      H   8      H   9      H  10      H  11
              -------------------------------------------------------
   C   7    0.0000 
   H   8    2.6200     0.0000 
   H   9    1.4158     2.8059     0.0000 
   H  10    2.2901     1.6200     3.2400     0.0000 
   H  11    0.6200     3.2400     1.6200     2.8059     0.0000 



ATOMIC CHARGES
  Br   1   -0.0501953572
   N   2   -0.2631910489
   C   3    0.0207401998
   C   4   -0.0296068780
   C   5   -0.0296068780
   C   6    0.0285962131
   C   7    0.0285962131
   H   8    0.0643668359
   H   9    0.0643668359
   H  10    0.0829669322
   H  11    0.0829669322


BOND ANGLES
   6    2    7  Car  Nar  Car    119.999
   1    3    4   Br  Car  Car    120.001
   1    3    5   Br  Car  Car    120.001
   4    3    5  Car  Car  Car    119.999
   3    4    6  Car  Car  Car    120.001
   3    4    8  Car  Car   HC    120.002
   6    4    8  Car  Car   HC    119.997
   3    5    7  Car  Car  Car    120.001
   3    5    9  Car  Car   HC    119.998
   7    5    9  Car  Car   HC    120.002
   2    6    4  Nar  Car  Car    120.001
   2    6   10  Nar  Car   HC    120.002
   4    6   10  Car  Car   HC    119.997
   2    7    5  Nar  Car  Car    120.001
   2    7   11  Nar  Car   HC    119.998
   5    7   11  Car  Car   HC    120.002


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