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5-Fluoro-2-nitroaniline
5-Fluoro-2-nitroaniline
ID: BP-11249
CAS:2369-11-1
Supplier:BroadPharm

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SMILES:Nc1c(ccc(c1)F)[N+](=O)[O-]	
FORMULA: C6H5FN2O2
MASS: 156.1145
EXACT MASS: 156.0335056
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.2500     0.0000 
   C   3    2.1651     1.2501     0.0000 
   C   4    3.3072     2.1651     1.2500     0.0000 
   C   5    3.7500     2.5000     2.1650     1.2500     0.0000 
   C   6    3.3072     2.1651     2.5000     2.1650     1.2500     0.0000 
   C   7    2.1650     1.2500     2.1651     2.5000     2.1651     1.2501 
   N   8    2.5000     2.1651     1.2500     2.1650     3.3072     3.7500 
   O   9    3.7500     3.3072     2.1650     2.5000     3.7500     4.5069 
   O  10    2.1650     2.5000     2.1651     3.3072     4.3301     4.5070 
   F  11    4.3301     3.3072     3.7500     3.3072     2.1650     1.2500 

              C   7      N   8      O   9      O  10      F  11
              -------------------------------------------------------
   C   7    0.0000 
   N   8    3.3072     0.0000 
   O   9    4.3301     1.2500     0.0000 
   O  10    3.7500     1.2501     2.1651     0.0000 
   F  11    2.1651     5.0000     5.7282     5.7282     0.0000 



ATOMIC CHARGES
   N   1   -0.1215473182
   C   2    0.1603237049
   C   3    0.3065495155
   C   4    0.0790346347
   C   5    0.0360341584
   C   6    0.1418975698
   C   7    0.0539370393
   N   8    0.0823378593
   O   9    0.0415258184
   O  10   -0.5759716815
   F  11   -0.2041213005


BOND ANGLES
   1    2    3  Npl  Car  Car    120.001
   1    2    7  Npl  Car  Car    120.001
   3    2    7  Car  Car  Car    119.998
   2    3    4  Car  Car  Car    120.001
   2    3    8  Car  Car  Ntr    119.998
   4    3    8  Car  Car  Ntr    120.001
   3    4    5  Car  Car  Car    120.001
   4    5    6  Car  Car  Car    120.001
   5    6    7  Car  Car  Car    120.001
   5    6   11  Car  Car    F    120.001
   7    6   11  Car  Car    F    119.998
   2    7    6  Car  Car  Car    119.998
   9    8   10   O2  Ntr   O-    120.001
   3    8    9  Car  Ntr   O2    120.001
   3    8   10  Car  Ntr   O-    119.998


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