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5-Bromo-2-fluorobenzonitrile
5-Bromo-2-fluorobenzonitrile 
ID: BP-12095
CAS:179897-89-3
Supplier:BroadPharm

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SMILES:c1(C#N)c(ccc(c1)Br)F	
FORMULA: C7H3BrFN
MASS: 200.0078
EXACT MASS: 198.9432893
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    2.4978     0.0000 
   C   3    1.2507     1.2471     0.0000 
   C   4    1.2500     3.3055     2.1654     0.0000 
   C   5    1.2508     3.3055     2.1667     2.1655     0.0000 
   C   6    2.1655     4.5057     3.3083     1.2508     2.5000     0.0000 
   C   7    2.1667     4.5060     3.3096     2.5014     1.2507     2.1654 
   F   8    2.1654     3.3061     2.5000     1.2507     3.3083     2.1667 
   C   9    2.5014     4.9992     3.7521     2.1667     2.1654     1.2507 
  Br  10    3.3096     5.4485     4.3333     3.7521     2.1666     3.3082 

              C   7      F   8      C   9     Br  10
              --------------------------------------------
   C   7    0.0000 
   F   8    3.7521     0.0000 
   C   9    1.2500     3.3096     0.0000 
  Br  10    1.2507     5.0027     2.1654     0.0000 



ATOMIC CHARGES
   C   1    0.0962987242
   N   2   -0.1907584522
   C   3    0.1027021584
   C   4    0.1496933333
   C   5    0.0192436899
   C   6    0.0308392073
   C   7    0.0353785805
   F   8   -0.2034618820
   C   9    0.0090412398
  Br  10   -0.0489765992


BOND ANGLES
   3    1    4   C1  Car  Car    119.982
   3    1    5   C1  Car  Car    120.037
   4    1    5  Car  Car  Car    119.980
   1    3    2  Car   C1   N1    179.906
   1    4    6  Car  Car  Car    119.980
   1    4    8  Car  Car    F    119.982
   6    4    8  Car  Car    F    120.037
   1    5    7  Car  Car  Car    120.037
   4    6    9  Car  Car  Car    120.037
   5    7    9  Car  Car  Car    119.982
   5    7   10  Car  Car   Br    120.035
   9    7   10  Car  Car   Br    119.982
   6    9    7  Car  Car  Car    119.982


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