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3-Fluoro-2-nitroaniline
3-Fluoro-2-nitroaniline 
ID: BP-11275
CAS:567-63-5
Supplier:BroadPharm

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SMILES:[N+](=O)(c1c(N)cccc1F)[O-]	
FORMULA: C6H5FN2O2
MASS: 156.1145
EXACT MASS: 156.0335056
INTERATOMIC DISTANCES

              N   1      C   2      O   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.2500     0.0000 
   O   3    1.2543     2.1676     0.0000 
   O   4    1.2471     2.1634     2.1667     0.0000 
   C   5    2.1676     1.2543     2.5000     3.3083     0.0000 
   C   6    2.1634     1.2471     3.3083     2.5000     2.1667     0.0000 
   N   7    2.5050     2.1708     2.1654     3.7521     1.2507     3.3096 
   F   8    2.4978     2.1625     3.7521     2.1654     3.3096     1.2507 
   C   9    3.7500     2.5000     4.5081     4.5061     2.1676     2.1634 
   C  10    3.3088     2.1676     3.7500     4.3309     1.2500     2.5014 
   C  11    3.3061     2.1634     4.3309     3.7500     2.5014     1.2500 

              N   7      F   8      C   9      C  10      C  11
              -------------------------------------------------------
   N   7    0.0000 
   F   8    4.3333     0.0000 
   C   9    3.3109     3.3055     0.0000 
   C  10    2.1654     3.7521     1.2543     0.0000 
   C  11    3.7521     2.1654     1.2471     2.1667     0.0000 



ATOMIC CHARGES
   N   1    0.0847126925
   C   2    0.3332925044
   O   3   -0.5759117773
   O   4    0.0416010159
   C   5    0.1604497675
   C   6    0.2103649270
   N   7   -0.1215408124
   F   8   -0.1976362733
   C   9    0.0041070919
   C  10    0.0244728673
   C  11    0.0360879965


BOND ANGLES
   2    1    3  Car  Ntr   O-    119.887
   2    1    4  Car  Ntr   O2    120.077
   3    1    4   O-  Ntr   O2    120.037
   1    2    5  Ntr  Car  Car    119.887
   1    2    6  Ntr  Car  Car    120.077
   5    2    6  Car  Car  Car    120.037
   2    5    7  Car  Car  Npl    120.131
   2    5   10  Car  Car  Car    119.887
   7    5   10  Npl  Car  Car    119.982
   2    6    8  Car  Car    F    119.941
   2    6   11  Car  Car  Car    120.077
   8    6   11    F  Car  Car    119.982
  10    9   11  Car  Car  Car    120.037
   5   10    9  Car  Car  Car    119.887
   6   11    9  Car  Car  Car    120.077


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