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(2-amino-5-chloro-phenyl)-(2-fluorophenyl)methanone
(2-amino-5-chloro-phenyl)-(2-fluorophenyl)methanone ID: AN-47615
CAS:784-38-3
Supplier:AN PharmaTech Co Ltd

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SMILES:Clc1cc(C(=O)c2c(F)cccc2)c(N)cc1	69912
FORMULA: C13H9ClFNO
MASS: 249.6681
EXACT MASS: 249.0356698
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    4.3589     2.9999     0.0000 
   N   4    4.0000     3.4641     1.7321     0.0000 
   C   5    2.6457     1.7320     1.7320     1.7321     0.0000 
   C   6    3.6055     1.7320     1.7320     3.0000     1.7320     0.0000 
   C   7    3.4641     2.0000     1.0000     2.0000     1.0000     1.0000 
   C   8    2.9999     2.6457     2.0000     1.0001     1.0000     2.6457 
   C   9    1.7320     1.0000     2.6457     2.6458     1.0000     2.0000 
   C  10    2.6457     2.9999     3.0000     1.7321     1.7320     3.4641 
   C  11    3.0000     1.0000     2.6457     3.6055     2.0000     1.0000 
   C  12    4.5826     2.6457     2.0000     3.6056     2.6457     1.0000 
   C  13    1.0000     1.7320     3.4641     3.0000     1.7320     3.0000 
   C  14    1.7320     2.6457     3.6055     2.6458     2.0000     3.6055 
   C  15    3.6056     1.7321     3.4641     4.5826     3.0000     1.7321 
   C  16    5.0000     3.0000     2.9999     4.5826     3.4641     1.7320 
   C  17    4.5826     2.6458     3.6055     5.0001     3.6056     2.0000 
   H  18    1.8397     0.3799     2.8292     3.1409     1.4158     1.7733 
   H  19    3.1408     3.6200     3.3533     1.8397     2.2901     4.0130 
   H  20    5.0104     3.1407     1.7732     3.4849     2.8292     1.4158 
   H  21    1.8396     3.1407     4.2100     3.1408     2.6200     4.2100 
   H  22    3.4849     1.8397     4.0130     5.0105     3.3533     2.2901 
   H  23    5.6200     3.6200     3.3532     5.0104     4.0130     2.2901 
   H  24    5.0104     3.1408     4.2100     5.6200     4.2100     2.6200 
   H  25    4.3433     4.0130     2.2901     0.6200     2.2901     3.6200 
   H  26    4.3433     3.5191     1.2347     0.6200     1.8397     2.7431 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    1.7320     1.7320     0.0000 
   C  10    2.6457     1.0000     2.0000     0.0000 
   C  11    1.7320     2.9999     1.7320     3.6055     0.0000 
   C  12    1.7320     3.4641     3.0000     4.3589     1.7320     0.0000 
   C  13    2.6457     2.0000     1.0000     1.7320     2.6457     4.0000 
   C  14    3.0000     1.7320     1.7320     1.0000     3.4641     4.5826 
   C  15    2.6458     4.0000     2.6458     4.5826     1.0001     2.0000 
   C  16    2.6457     4.3589     3.6055     5.1961     2.0000     1.0000 
   C  17    3.0000     4.5826     3.4641     5.2915     1.7321     1.7321 
   H  18    1.8397     2.2901     0.6201     2.6200     1.2346     2.7431 
   H  19    3.1408     1.4158     2.6200     0.6201     4.2100     4.8708 
   H  20    1.8397     3.5191     3.3533     4.4726     2.2900     0.6200 
   H  21    3.6200     2.2901     2.2901     1.4158     4.0130     5.1927 
   H  22    3.1408     4.3433     2.8292     4.8212     1.4158     2.6200 
   H  23    3.1407     4.8707     4.2100     5.7414     2.6200     1.4158 
   H  24    3.6200     5.1927     4.0130     5.8808     2.2901     2.2901 
   H  25    2.6200     1.4158     3.1408     1.8397     4.2100     4.2100 
   H  26    1.7733     1.4158     2.8292     2.2901     3.4849     3.2069 

              C  13      C  14      C  15      C  16      C  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.0000     0.0000 
   C  15    3.4641     4.3589     0.0000 
   C  16    4.5826     5.2915     1.7321     0.0000 
   C  17    4.3589     5.1962     1.0000     1.0001     0.0000 
   H  18    1.4158     2.2901     2.0699     3.2069     2.9435     0.0000 
   H  19    2.2901     1.4158     5.1928     5.7415     5.8809     3.2401 
   H  20    4.3433     4.8212     2.6200     1.4157     2.2901     3.1864 
   H  21    1.4158     0.6200     4.8708     5.8808     5.7415     2.8059 
   H  22    3.5192     4.4726     0.6200     2.2901     1.4158     2.2145 
   H  23    5.1927     5.8808     2.2901     0.6200     1.4158     3.8242 
   H  24    4.8708     5.7415     1.4158     1.4158     0.6200     3.4641 
   H  25    3.3533     2.8292     5.1928     5.1927     5.6200     3.6740 
   H  26    3.3533     3.1408     4.4187     4.2029     4.7207     3.2380 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    4.9340     0.0000 
   H  21    1.6200     5.4400     0.0000 
   H  22    5.4400     3.2400     4.9340     0.0000 
   H  23    6.2700     1.6199     6.4759     2.8059     0.0000 
   H  24    6.4759     2.8059     6.2700     1.6200     1.6200     0.0000 
   H  25    1.7320     4.0601     3.2380     5.6083     5.6083     6.2400 
   H  26    2.4522     3.0074     3.6739     4.9004     4.5826     5.3371 

              H  25      H  26
              ----------------------
   H  25    0.0000 
   H  26    1.0739     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0835198395
   F   2   -0.2047457172
   O   3   -0.2864941435
   N   4   -0.3574104530
   C   5    0.0443213262
   C   6    0.0574496236
   C   7    0.1976874632
   C   8    0.0355766722
   C   9   -0.0307830457
   C  10   -0.0389770255
   C  11    0.1341849931
   C  12   -0.0481472915
   C  13    0.0417637208
   C  14   -0.0416143304
   C  15   -0.0257402624
   C  16   -0.0609140137
   C  17   -0.0590080932
   H  18    0.0639706214
   H  19    0.0636516889
   H  20    0.0625482547
   H  21    0.0632643494
   H  22    0.0646313177
   H  23    0.0617793904
   H  24    0.0618444061
   H  25    0.1423401939
   H  26    0.1423401939


BOND ANGLES
   8    4   25  Car  Npl   HC    120.000
   8    4   26  Car  Npl   HC    119.998
  25    4   26   HC  Npl   HC    120.002
   7    5    8   C2  Car  Car    120.001
   7    5    9   C2  Car  Car    120.001
   8    5    9  Car  Car  Car    119.999
   7    6   11   C2  Car  Car    119.999
   7    6   12   C2  Car  Car    120.001
  11    6   12  Car  Car  Car    120.001
   3    7    5   O2   C2  Car    120.001
   3    7    6   O2   C2  Car    119.999
   5    7    6  Car   C2  Car    120.001
   4    8    5  Npl  Car  Car    120.001
   4    8   10  Npl  Car  Car    119.998
   5    8   10  Car  Car  Car    120.001
   5    9   13  Car  Car  Car    120.001
   5    9   18  Car  Car   HC    120.002
  13    9   18  Car  Car   HC    119.997
   8   10   14  Car  Car  Car    120.001
   8   10   19  Car  Car   HC    119.997
  14   10   19  Car  Car   HC    120.002
   2   11    6    F  Car  Car    120.001
   2   11   15    F  Car  Car    119.998
   6   11   15  Car  Car  Car    120.001
   6   12   16  Car  Car  Car    120.001
   6   12   20  Car  Car   HC    120.002
  16   12   20  Car  Car   HC    119.998
   1   13    9   Cl  Car  Car    120.001
   1   13   14   Cl  Car  Car    119.999
   9   13   14  Car  Car  Car    120.001
  10   14   13  Car  Car  Car    119.999
  10   14   21  Car  Car   HC    120.001
  13   14   21  Car  Car   HC    120.001
  11   15   17  Car  Car  Car    119.998
  11   15   22  Car  Car   HC    120.000
  17   15   22  Car  Car   HC    120.002
  12   16   17  Car  Car  Car    120.001
  12   16   23  Car  Car   HC    120.001
  17   16   23  Car  Car   HC    119.998
  15   17   16  Car  Car  Car    119.998
  15   17   24  Car  Car   HC    120.002
  16   17   24  Car  Car   HC    120.000


TORSION ANGLES
  25    4    8    5    179.974
  25    4    8   10      0.026
  26    4    8    5      0.026
  26    4    8   10    179.974
   8    5    7    3      0.026
   8    5    7    6    179.974
   9    5    7    3    179.974
   9    5    7    6      0.026
   7    5    8    4      0.026
   7    5    8   10    179.974
   9    5    8    4    179.974
   9    5    8   10      0.026
   7    5    9   13    179.974
   7    5    9   18      0.026
   8    5    9   13      0.026
   8    5    9   18    179.974
  11    6    7    3    179.974
  11    6    7    5      0.026
  12    6    7    3      0.026
  12    6    7    5    179.974
   7    6   11    2      0.026
   7    6   11   15    179.974
  12    6   11    2    179.974
  12    6   11   15      0.026
   7    6   12   16    179.974
   7    6   12   20      0.026
  11    6   12   16      0.026
  11    6   12   20    179.974
   4    8   10   14    179.974
   4    8   10   19      0.026
   5    8   10   14      0.026
   5    8   10   19    179.974
   5    9   13    1    179.974
   5    9   13   14      0.026
  18    9   13    1      0.026
  18    9   13   14    179.974
   8   10   14   13      0.026
   8   10   14   21    179.974
  19   10   14   13    179.974
  19   10   14   21      0.026
   2   11   15   17    179.974
   2   11   15   22      0.026
   6   11   15   17      0.026
   6   11   15   22    179.974
   6   12   16   17      0.026
   6   12   16   23    179.974
  20   12   16   17    179.974
  20   12   16   23      0.026
   1   13   14   10    179.974
   1   13   14   21      0.026
   9   13   14   10      0.026
   9   13   14   21    179.974
  11   15   17   16      0.026
  11   15   17   24    179.974
  22   15   17   16    179.974
  22   15   17   24      0.026
  12   16   17   15      0.026
  12   16   17   24    179.974
  23   16   17   15    179.974
  23   16   17   24      0.026