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2-Bromo-4-fluoropyridine
2-Bromo-4-fluoropyridine ID: API-23579
CAS:357927-50-5
Supplier:APIchem

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SMILES:Brc1nccc(F)c1	ChemMol.com
FORMULA: C5H3BrFN
MASS: 175.9864
EXACT MASS: 174.9432893
INTERATOMIC DISTANCES

             Br   1      F   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Br   1    0.0000 
   F   2    3.4641     0.0000 
   N   3    1.7320     3.0000     0.0000 
   C   4    2.6457     1.0000     2.0000     0.0000 
   C   5    1.7320     1.7320     1.7320     1.0000     0.0000 
   C   6    3.0000     1.7321     1.7321     1.0001     1.7321     0.0000 
   C   7    1.0000     2.6457     1.0000     1.7320     1.0000     2.0000 
   C   8    2.6458     2.6458     1.0001     1.7321     2.0000     1.0000 
   H   9    1.8397     1.8396     2.2900     1.4157     0.6200     2.2901 
   H  10    3.6200     1.8397     2.2901     1.4158     2.2901     0.6200 
   H  11    3.1408     3.1408     1.4158     2.2901     2.6200     1.4158 

              C   7      C   8      H   9      H  10      H  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    1.7321     0.0000 
   H   9    1.4158     2.6200     0.0000 
   H  10    2.6200     1.4158     2.8059     0.0000 
   H  11    2.2901     0.6200     3.2400     1.6200     0.0000 



ATOMIC CHARGES
  Br   1   -0.0286298322
   F   2   -0.2053529804
   N   3   -0.2480656805
   C   4    0.1273497992
   C   5    0.0059732135
   C   6   -0.0082417170
   C   7    0.1089532690
   C   8    0.0315456303
   H   9    0.0672741209
   H  10    0.0661313789
   H  11    0.0830627983


BOND ANGLES
   7    3    8  Car  Nar  Car    120.001
   2    4    5    F  Car  Car    120.001
   2    4    6    F  Car  Car    119.998
   5    4    6  Car  Car  Car    120.001
   4    5    7  Car  Car  Car    120.001
   4    5    9  Car  Car   HC    119.998
   7    5    9  Car  Car   HC    120.002
   4    6    8  Car  Car  Car    119.998
   4    6   10  Car  Car   HC    120.000
   8    6   10  Car  Car   HC    120.002
   1    7    3   Br  Car  Nar    119.999
   1    7    5   Br  Car  Car    120.001
   3    7    5  Nar  Car  Car    120.001
   3    8    6  Nar  Car  Car    119.998
   3    8   11  Nar  Car   HC    120.000
   6    8   11  Car  Car   HC    120.002


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