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6-Chloro-5-fluoro-2-oxindole
6-Chloro-5-fluoro-2-oxindole ID: API-9470
CAS:100487-74-9
Supplier:APIchem

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SMILES:Clc1cc2NC(=O)Cc2cc1F	ChemMol.com
FORMULA: C8H5ClFNO
MASS: 185.5828
EXACT MASS: 185.0043697
INTERATOMIC DISTANCES

             Cl   1      F   2      O   3      N   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   F   2    2.0000     0.0000 
   O   3    5.2245     5.2245     0.0000 
   N   4    3.5497     3.9773     1.7763     0.0000 
   C   5    3.0000     2.6458     2.5787     1.6117     0.0000 
   C   6    3.9774     3.5497     1.7764     1.6095     0.9941     0.0000 
   C   7    2.6458     3.0000     2.5787     0.9941     1.0000     1.6118 
   C   8    4.2473     4.2473     1.0000     0.9940     1.6094     0.9941 
   C   9    2.6457     1.7320     3.5401     2.5576     1.0001     1.8228 
   C  10    1.7320     2.6457     3.5401     1.8228     1.7321     2.5577 
   C  11    1.7320     1.0000     4.2911     2.9792     1.7321     2.6956 
   C  12    1.0000     1.7320     4.2911     2.6956     2.0000     2.9792 
   H  13    4.0584     3.3142     2.2907     2.1908     1.1150     0.6200 
   H  14    4.5967     4.0833     1.5282     1.9925     1.6056     0.6200 
   H  15    3.7576     4.4380     1.9693     0.6200     2.2100     2.2072 
   H  16    3.1407     1.8396     3.7625     3.0271     1.4158     1.9872 
   H  17    1.8396     3.1407     3.7625     1.9872     2.2901     3.0272 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.6094     0.0000 
   C   9    1.7321     2.5962     0.0000 
   C  10    1.0001     2.5962     2.0000     0.0000 
   C  11    2.0000     3.3000     1.0000     1.7320     0.0000 
   C  12    1.7321     3.3000     1.7320     1.0000     1.0000     0.0000 
   H  13    1.9966     1.6057     1.6049     2.8395     2.5791     3.0651 
   H  14    2.1923     1.1150     2.3525     3.1607     3.2738     3.5980 
   H  15    1.4478     1.4478     3.1226     2.0432     3.4394     3.0069 
   H  16    2.2901     2.8922     0.6200     2.6200     1.4158     2.2901 
   H  17    1.4158     2.8922     2.6200     0.6200     2.2901     1.4158 

              H  13      H  14      H  15      H  16      H  17
              -------------------------------------------------------
   H  13    0.0000 
   H  14    0.8294     0.0000 
   H  15    2.8010     2.5316     0.0000 
   H  16    1.5809     2.4036     3.6199     0.0000 
   H  17    3.3746     3.6050     2.0176     3.2400     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0805149155
   F   2   -0.2039507987
   O   3   -0.2751141757
   N   4   -0.2849288151
   C   5   -0.0146274448
   C   6    0.0512516560
   C   7    0.0385954724
   C   8    0.2215918429
   C   9   -0.0196000942
   C  10   -0.0190582732
   C  11    0.1420019410
   C  12    0.0778465173
   H  13    0.0407636619
   H  14    0.0407636619
   H  15    0.1548202319
   H  16    0.0649998222
   H  17    0.0651597097


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


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