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2-Fluoro-3-methylpyridine
2-Fluoro-3-methylpyridine ID: API-45597
CAS:2369-18-8
Supplier:APIchem

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SMILES:Fc1ncccc1C	ChemMol.com
FORMULA: C6H6FN
MASS: 111.1169
EXACT MASS: 111.0484274
INTERATOMIC DISTANCES

              F   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   F   1    0.0000 
   N   2    1.7320     0.0000 
   C   3    1.7320     1.7320     0.0000 
   C   4    2.6457     2.0000     1.0000     0.0000 
   C   5    2.0000     2.6457     1.0000     1.7320     0.0000 
   C   6    1.0000     1.0000     1.0000     1.7320     1.7320     0.0000 
   C   7    3.0000     1.7321     1.7321     1.0001     2.6458     2.0000 
   C   8    2.6458     1.0001     2.0000     1.7321     3.0000     1.7321 
   H   9    3.1407     2.6200     1.4158     0.6200     1.8396     2.2901 
   H  10    2.5558     2.9083     1.1766     1.5200     0.6200     2.1114 
   H  11    2.3716     3.2379     1.6199     2.2900     0.6200     2.2900 
   H  12    1.4956     2.5121     1.1766     2.1114     0.6200     1.5200 
   H  13    3.6200     2.2901     2.2901     1.4158     3.1408     2.6200 
   H  14    3.1408     1.4158     2.6200     2.2901     3.6200     2.2901 

              C   7      C   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   H   9    1.4158     2.2901     0.0000 
   H  10    2.5121     3.0634     1.4244     0.0000 
   H  11    3.2380     3.6200     2.2900     0.8768     0.0000 
   H  12    2.9083     3.0634     2.3470     1.2399     0.8768     0.0000 
   H  13    0.6200     1.4158     1.6200     2.9170     3.7058     3.4624 
   H  14    1.4158     0.6200     2.8059     3.6727     4.2400     3.6727 

              H  13      H  14
              ----------------------
   H  13    0.0000 
   H  14    1.6200     0.0000 



ATOMIC CHARGES
   F   1   -0.1836219163
   N   2   -0.2273912972
   C   3    0.0038514965
   C   4   -0.0531590658
   C   5   -0.0354591475
   C   6    0.2161025309
   C   7   -0.0431596757
   C   8    0.0306585812
   H   9    0.0622014010
   H  10    0.0278895228
   H  11    0.0278895228
   H  12    0.0278895228
   H  13    0.0632755161
   H  14    0.0830330082


BOND ANGLES
   6    2    8  Car  Nar  Car    120.001
   4    3    5  Car  Car   C3    119.999
   4    3    6  Car  Car  Car    120.001
   5    3    6   C3  Car  Car    120.001
   3    4    7  Car  Car  Car    120.001
   3    4    9  Car  Car   HC    120.001
   7    4    9  Car  Car   HC    119.998
   3    5   10  Car   C3   HC     89.999
   3    5   11  Car   C3   HC    179.974
   3    5   12  Car   C3   HC     90.001
  10    5   11   HC   C3   HC     90.000
  10    5   12   HC   C3   HC    179.974
  11    5   12   HC   C3   HC     90.000
   1    6    2    F  Car  Nar    119.999
   1    6    3    F  Car  Car    120.001
   2    6    3  Nar  Car  Car    120.001
   4    7    8  Car  Car  Car    119.998
   4    7   13  Car  Car   HC    120.000
   8    7   13  Car  Car   HC    120.002
   2    8    7  Nar  Car  Car    119.998
   2    8   14  Nar  Car   HC    120.000
   7    8   14  Car  Car   HC    120.002


TORSION ANGLES
   8    2    6    1    179.974
   8    2    6    3      0.026
   6    2    8    7      0.026
   6    2    8   14    179.974
   5    3    4    7    179.974
   5    3    4    9      0.026
   6    3    4    7      0.026
   6    3    4    9    179.974
   4    3    5   10      0.026
   4    3    5   11      0.026
   4    3    5   12    179.974
   6    3    5   10    179.974
   6    3    5   11    179.974
   6    3    5   12      0.026
   4    3    6    1    179.974
   4    3    6    2      0.026
   5    3    6    1      0.026
   5    3    6    2    179.974
   3    4    7    8      0.026
   3    4    7   13    179.974
   9    4    7    8    179.974
   9    4    7   13      0.026
   4    7    8    2      0.026
   4    7    8   14    179.974
  13    7    8    2    179.974
  13    7    8   14      0.026