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2-Fluoro-3-nitro-4-picoline
2-Fluoro-3-nitro-4-picoline ID: B184561
CAS:19346-43-1
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1cnc(c(c1C)[N+](=O)[O-])F	
FORMULA: C6H5FN2O2
MASS: 156.1145
EXACT MASS: 156.0335056
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7441     0.0000 
   N   3    1.2873     0.7433     0.0000 
   C   4    1.4877     1.2896     0.7450     0.0000 
   C   5    1.2856     1.4882     1.2903     0.7472     0.0000 
   C   6    0.7408     1.2869     1.4864     1.2891     0.7419     0.0000 
   F   7    2.2269     1.9647     1.2857     0.7392     1.2888     1.9650 
   C   8    1.2829     1.9639     2.2280     1.9668     1.2840     0.7416 
   N   9    1.9601     2.2274     1.9665     1.2881     0.7392     1.2824 
   O  10    2.5699     2.6796     2.2321     1.4872     1.2843     1.9621 
   O  11    2.2283     2.6817     2.5782     1.9705     1.2878     1.4875 

              F   7      C   8      N   9      O  10      O  11
              -------------------------------------------------------
   F   7    0.0000 
   C   8    2.5728     0.0000 
   N   9    1.4904     1.4806     0.0000 
   O  10    1.2945     2.2233     0.7428     0.0000 
   O  11    2.2343     1.2872     0.7439     1.2832     0.0000 



ATOMIC CHARGES
   C   1    0.0226487137
   C   2    0.1013631084
   N   3   -0.2113069374
   C   4    0.2916826210
   C   5    0.3311530376
   C   6    0.0530237564
   F   7   -0.1765271217
   C   8    0.0376590849
   N   9    0.0846175384
   O  10   -0.5759131243
   O  11    0.0415993230


BOND ANGLES
   2    1    6  Car  Car  Car    120.149
   1    2    3  Car  Car  Nar    119.874
   2    3    4  Car  Nar  Car    120.110
   3    4    7  Nar  Car    F    120.060
   5    4    7  Car  Car    F    120.232
   3    4    5  Nar  Car  Car    119.709
   4    5    9  Car  Car  Ntr    120.127
   6    5    9  Car  Car  Ntr    119.958
   4    5    6  Car  Car  Car    119.915
   5    6    8  Car  Car   C3    119.885
   1    6    8  Car  Car   C3    119.871
   1    6    5  Car  Car  Car    120.243
   5    9   10  Car  Ntr   O-    120.138
   5    9   11  Car  Ntr   O2    120.527
  10    9   11   O-  Ntr   O2    119.335


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