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5-fluoro-3-nitropyridin-2-ol
5-fluoro-3-nitropyridin-2-ol
ID: BP-11917
CAS:136888-20-5
Supplier:BroadPharm

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SMILES:c1(cnc(c(c1)[N+](=O)[O-])O)F	
FORMULA: C5H3FN2O3
MASS: 158.0873
EXACT MASS: 158.0127702
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6001     0.0000 
   N   3    1.0393     0.6000     0.0000 
   C   4    1.2000     1.0392     0.6000     0.0000 
   C   5    1.0392     1.2000     1.0393     0.6001     0.0000 
   C   6    0.6000     1.0393     1.2001     1.0393     0.6000     0.0000 
   F   7    0.5980     1.0375     1.5856     1.7980     1.5855     1.0375 
   O   8    1.7979     1.5854     1.0374     0.5979     1.0375     1.5855 
   N   9    1.5854     1.7979     1.5855     1.0375     0.5979     1.0374 
   O  10    1.7968     2.1599     2.0749     1.5839     1.0356     1.1968 
   O  11    2.0748     2.1598     1.7969     1.1969     1.0356     1.5839 

              F   7      O   8      N   9      O  10      O  11
              -------------------------------------------------------
   F   7    0.0000 
   O   8    2.3959     0.0000 
   N   9    2.0749     1.1979     0.0000 
   O  10    2.1593     1.7958     0.5979     0.0000 
   O  11    2.6099     1.0375     0.5979     1.0356     0.0000 



ATOMIC CHARGES
   C   1    0.1655701331
   C   2    0.1321323766
   N   3   -0.1987108418
   C   4    0.3489451005
   C   5    0.3492655672
   C   6    0.1116696410
   F   7   -0.2023111423
   O   8   -0.2584061338
   N   9    0.0860791047
   O  10    0.0416438500
   O  11   -0.5758776550


BOND ANGLES
   6    1    7  Car  Car    F    120.008
   2    1    6  Car  Car  Car    120.001
   2    1    7  Car  Car    F    119.991
   1    2    3  Car  Car  Nar    120.001
   2    3    4  Car  Nar  Car    119.999
   3    4    8  Nar  Car   O3    120.004
   5    4    8  Car  Car   O3    119.996
   3    4    5  Nar  Car  Car    120.001
   6    5    9  Car  Car  Ntr    120.004
   4    5    6  Car  Car  Car    120.001
   4    5    9  Car  Car  Ntr    119.996
   1    6    5  Car  Car  Car    119.999
   5    9   10  Car  Ntr   O2    119.996
   5    9   11  Car  Ntr   O-    120.009
  10    9   11   O2  Ntr   O-    119.996


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