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6-Fluoroindoline
6-Fluoroindoline ID: API-45553
CAS:2343-23-9
Supplier:APIchem

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SMILES:Fc1cc2NCCc2cc1	ChemMol.com
FORMULA: C8H8FN
MASS: 137.1542
EXACT MASS: 137.0640775
INTERATOMIC DISTANCES

              F   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   F   1    0.0000 
   N   2    3.5497     0.0000 
   C   3    3.9774     1.6095     0.0000 
   C   4    3.0000     1.6117     0.9941     0.0000 
   C   5    4.2473     0.9940     0.9941     1.6094     0.0000 
   C   6    2.6458     0.9941     1.6118     1.0000     1.6094     0.0000 
   C   7    2.6457     2.5576     1.8228     1.0001     2.5962     1.7321 
   C   8    1.7320     1.8228     2.5577     1.7321     2.5962     1.0001 
   C   9    1.7320     2.9792     2.6956     1.7321     3.3000     2.0000 
   C  10    1.0000     2.6956     2.9792     2.0000     3.3000     1.7321 
   H  11    4.0584     2.1908     0.6200     1.1150     1.6057     1.9966 
   H  12    4.5967     1.9925     0.6200     1.6056     1.1150     2.1923 
   H  13    4.8020     1.6057     1.1149     1.9925     0.6201     2.1908 
   H  14    4.6260     1.1149     1.6057     2.1908     0.6200     1.9925 
   H  15    3.7576     0.6200     2.2072     2.2100     1.4478     1.4478 
   H  16    3.1407     3.0271     1.9872     1.4158     2.8922     2.2901 
   H  17    1.8396     1.9872     3.0272     2.2901     2.8922     1.4158 
   H  18    1.8397     3.5979     3.2152     2.2901     3.8842     2.6200 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.0000     0.0000 
   C   9    1.0000     1.7320     0.0000 
   C  10    1.7320     1.0000     1.0000     0.0000 
   H  11    1.6049     2.8395     2.5791     3.0651     0.0000 
   H  12    2.3525     3.1607     3.2738     3.5980     0.8294     0.0000 
   H  13    2.9161     3.1879     3.7238     3.8335     1.6106     0.8637 
   H  14    3.1879     2.9161     3.8335     3.7238     2.2067     1.6106 
   H  15    3.1226     2.0432     3.4394     3.0069     2.8010     2.5316 
   H  16    0.6200     2.6200     1.4158     2.2901     1.5809     2.4036 
   H  17    2.6200     0.6200     2.2901     1.4158     3.3746     3.6050 
   H  18    1.4157     2.2900     0.6200     1.4158     3.0170     3.7649 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.8295     0.0000 
   H  15    1.9994     1.2980     0.0000 
   H  16    3.1006     3.5073     3.6199     0.0000 
   H  17    3.5074     3.1007     2.0176     3.2400     0.0000 
   H  18    4.2780     4.4323     4.0584     1.6199     2.8059     0.0000 




ATOMIC CHARGES
   F   1   -0.2054266893
   N   2   -0.3432372504
   C   3   -0.0103977106
   C   4   -0.0248946966
   C   5    0.0131601612
   C   6    0.0331225196
   C   7   -0.0540654277
   C   8   -0.0053211758
   C   9   -0.0260764265
   C  10    0.1251644869
   H  11    0.0328872363
   H  12    0.0328872363
   H  13    0.0464261511
   H  14    0.0464261511
   H  15    0.1460809629
   H  16    0.0621726670
   H  17    0.0664711182
   H  18    0.0646206865


BOND ANGLES
   5    2    6   C3  Npl  Car    108.101
   5    2   15   C3  Npl   HC    125.950
   6    2   15  Car  Npl   HC    125.949
   4    3    5  Car   C3   C3    108.092
   4    3   11  Car   C3   HC     83.974
   4    3   12  Car   C3   HC    167.941
   5    3   11   C3   C3   HC    167.934
   5    3   12   C3   C3   HC     83.967
  11    3   12   HC   C3   HC     83.967
   3    4    6   C3  Car  Car    107.855
   3    4    7   C3  Car  Car    132.147
   6    4    7  Car  Car  Car    119.998
   2    5    3  Npl   C3   C3    108.101
   2    5   13  Npl   C3   HC    167.938
   2    5   14  Npl   C3   HC     83.971
   3    5   13   C3   C3   HC     83.961
   3    5   14   C3   C3   HC    167.927
  13    5   14   HC   C3   HC     83.966
   2    6    4  Npl  Car  Car    107.850
   2    6    8  Npl  Car  Car    132.152
   4    6    8  Car  Car  Car    119.998
   4    7    9  Car  Car  Car    120.001
   4    7   16  Car  Car   HC    119.998
   9    7   16  Car  Car   HC    120.001
   6    8   10  Car  Car  Car    120.001
   6    8   17  Car  Car   HC    119.998
  10    8   17  Car  Car   HC    120.001
   7    9   10  Car  Car  Car    120.001
   7    9   18  Car  Car   HC    119.998
  10    9   18  Car  Car   HC    120.002
   1   10    8    F  Car  Car    119.999
   1   10    9    F  Car  Car    120.001
   8   10    9  Car  Car  Car    120.001


TORSION ANGLES
   6    2    5    3      0.026
   6    2    5   13    179.974
   6    2    5   14    179.974
  15    2    5    3    179.974
  15    2    5   13      0.026
  15    2    5   14      0.026
   5    2    6    4      0.026
   5    2    6    8    179.974
  15    2    6    4    179.974
  15    2    6    8      0.026
   5    3    4    6      0.026
   5    3    4    7    179.974
  11    3    4    6    179.974
  11    3    4    7      0.026
  12    3    4    6    179.974
  12    3    4    7      0.026
   4    3    5    2      0.026
   4    3    5   13    179.974
   4    3    5   14    179.974
  11    3    5    2    179.974
  11    3    5   13      0.026
  11    3    5   14      0.026
  12    3    5    2    179.974
  12    3    5   13      0.026
  12    3    5   14      0.026
   3    4    6    2      0.026
   3    4    6    8    179.974
   7    4    6    2    179.974
   7    4    6    8      0.026
   3    4    7    9    179.974
   3    4    7   16      0.026
   6    4    7    9      0.026
   6    4    7   16    179.974
   2    6    8   10    179.974
   2    6    8   17      0.026
   4    6    8   10      0.026
   4    6    8   17    179.974
   4    7    9   10      0.026
   4    7    9   18    179.974
  16    7    9   10    179.974
  16    7    9   18      0.026
   6    8   10    1    179.974
   6    8   10    9      0.026
  17    8   10    1      0.026
  17    8   10    9    179.974
   7    9   10    1    179.974
   7    9   10    8      0.026
  18    9   10    1      0.026
  18    9   10    8    179.974