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2-Bromo-5-fluoro-2-nitropyrdine
2-Bromo-5-fluoro-2-nitropyrdine ID: B184528
CAS:652160-72-0
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1([N+](=O)[O-])c(ncc(c1)F)Br	
FORMULA: C5H2BrFN2O2
MASS: 220.9840
EXACT MASS: 219.9283675
INTERATOMIC DISTANCES

              C   1      N   2      C   3      N   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.8233     0.0000 
   C   3    0.8333     1.4352     0.0000 
   N   4    1.4372     2.1892     0.8269     0.0000 
   C   5    0.8269     1.4292     1.4372     1.6583     0.0000 
   O   6    1.4333     0.8284     1.6600     2.4870     2.1884     0.0000 
   O   7    1.4280     0.8250     2.1899     2.8652     1.6502     1.4285 
   C   8    1.4375     2.1908     1.6574     1.4321     0.8346     2.8708 
   C   9    1.6616     2.4849     1.4375     0.8305     1.4393     2.9905 
  Br  10    1.4393     1.6583     0.8305     1.4375     2.1946     1.4388 
   F  11    2.1877     2.8625     2.4807     2.1856     1.4333     3.6056 

              O   7      C   8      C   9     Br  10      F  11
              -------------------------------------------------------
   O   7    0.0000 
   C   8    2.4849     0.0000 
   C   9    2.9851     0.8250     0.0000 
  Br  10    2.4833     2.4879     2.1974     0.0000 
   F  11    2.9813     0.8233     1.4280     3.3112     0.0000 



ATOMIC CHARGES
   C   1    0.3158401721
   N   2    0.0831159670
   C   3    0.1846587095
   N   4   -0.2287750444
   C   5    0.1086223115
   O   6   -0.5759524689
   O   7    0.0415499367
   C   8    0.1653806313
   C   9    0.1293820027
  Br  10   -0.0215085458
   F  11   -0.2023136719


BOND ANGLES
   2    1    3  Ntr  Car  Car    120.069
   2    1    5  Ntr  Car  Car    120.009
   3    1    5  Car  Car  Car    119.923
   1    2    6  Car  Ntr   O-    120.402
   1    2    7  Car  Ntr   O2    120.069
   6    2    7   O-  Ntr   O2    119.530
   1    3    4  Car  Car  Nar    119.923
   1    3   10  Car  Car   Br    119.782
   4    3   10  Nar  Car   Br    120.296
   3    4    9  Car  Nar  Car    120.296
   1    5    8  Car  Car  Car    119.801
   5    8    9  Car  Car  Car    120.276
   5    8   11  Car  Car    F    119.655
   9    8   11  Car  Car    F    120.069
   4    9    8  Nar  Car  Car    119.782


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