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Products Information

5-fluoroindolin-2-one
5-fluoroindolin-2-one ID: AN-1135
CAS:56341-41-4
Supplier:AN PharmaTech Co Ltd

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SMILES:Fc1cc2CC(=O)Nc2cc1	3731012
FORMULA: C8H6FNO
MASS: 151.1377
EXACT MASS: 151.0433420
INTERATOMIC DISTANCES

              F   1      O   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   F   1    0.0000 
   O   2    5.2245     0.0000 
   N   3    3.9773     1.7763     0.0000 
   C   4    2.6458     2.5787     1.6117     0.0000 
   C   5    3.5497     1.7764     1.6095     0.9941     0.0000 
   C   6    3.0000     2.5787     0.9941     1.0000     1.6118     0.0000 
   C   7    4.2473     1.0000     0.9940     1.6094     0.9941     1.6094 
   C   8    1.7320     3.5401     2.5576     1.0001     1.8228     1.7321 
   C   9    2.6457     3.5401     1.8228     1.7321     2.5577     1.0001 
   C  10    1.0000     4.2911     2.9792     1.7321     2.6956     2.0000 
   C  11    1.7320     4.2911     2.6956     2.0000     2.9792     1.7321 
   H  12    3.3142     2.2907     2.1908     1.1150     0.6200     1.9966 
   H  13    4.0833     1.5282     1.9925     1.6056     0.6200     2.1923 
   H  14    4.4380     1.9693     0.6200     2.2100     2.2072     1.4478 
   H  15    1.8396     3.7625     3.0271     1.4158     1.9872     2.2901 
   H  16    3.1407     3.7625     1.9872     2.2901     3.0272     1.4158 
   H  17    1.8397     4.8667     3.2152     2.6200     3.5979     2.2901 

              C   7      C   8      C   9      C  10      C  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.5962     0.0000 
   C   9    2.5962     2.0000     0.0000 
   C  10    3.3000     1.0000     1.7320     0.0000 
   C  11    3.3000     1.7320     1.0000     1.0000     0.0000 
   H  12    1.6057     1.6049     2.8395     2.5791     3.0651     0.0000 
   H  13    1.1150     2.3525     3.1607     3.2738     3.5980     0.8294 
   H  14    1.4478     3.1226     2.0432     3.4394     3.0069     2.8010 
   H  15    2.8922     0.6200     2.6200     1.4158     2.2901     1.5809 
   H  16    2.8922     2.6200     0.6200     2.2901     1.4158     3.3746 
   H  17    3.8842     2.2900     1.4157     1.4158     0.6200     3.6805 

              H  13      H  14      H  15      H  16      H  17
              -------------------------------------------------------
   H  13    0.0000 
   H  14    2.5316     0.0000 
   H  15    2.4036     3.6199     0.0000 
   H  16    3.6050     2.0176     3.2400     0.0000 
   H  17    4.2171     3.4575     2.8059     1.6199     0.0000 



ATOMIC CHARGES
   F   1   -0.2054777900
   O   2   -0.2751141778
   N   3   -0.2849731936
   C   4   -0.0147177507
   C   5    0.0512504905
   C   6    0.0372122289
   C   7    0.2215913431
   C   8   -0.0210545142
   C   9   -0.0374893396
   C  10    0.1237867005
   C  11   -0.0246832156
   H  12    0.0407636573
   H  13    0.0407636573
   H  14    0.1548196114
   H  15    0.0649535052
   H  16    0.0637000176
   H  17    0.0646687697


BOND ANGLES
   6    3    7  Car  Nam   C2    108.101
   6    3   14  Car  Nam   HC    125.949
   7    3   14   C2  Nam   HC    125.950
   5    4    6   C3  Car  Car    107.855
   5    4    8   C3  Car  Car    132.147
   6    4    8  Car  Car  Car    119.998
   4    5    7  Car   C3   C2    108.092
   4    5   12  Car   C3   HC     83.974
   4    5   13  Car   C3   HC    167.941
   7    5   12   C2   C3   HC    167.934
   7    5   13   C2   C3   HC     83.967
  12    5   13   HC   C3   HC     83.967
   3    6    4  Nam  Car  Car    107.850
   3    6    9  Nam  Car  Car    132.152
   4    6    9  Car  Car  Car    119.998
   2    7    3   O2   C2  Nam    125.951
   2    7    5   O2   C2   C3    125.948
   3    7    5  Nam   C2   C3    108.101
   4    8   10  Car  Car  Car    120.001
   4    8   15  Car  Car   HC    119.998
  10    8   15  Car  Car   HC    120.001
   6    9   11  Car  Car  Car    120.001
   6    9   16  Car  Car   HC    119.998
  11    9   16  Car  Car   HC    120.001
   1   10    8    F  Car  Car    119.999
   1   10   11    F  Car  Car    120.001
   8   10   11  Car  Car  Car    120.001
   9   11   10  Car  Car  Car    120.001
   9   11   17  Car  Car   HC    119.998
  10   11   17  Car  Car   HC    120.002


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