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4-fluoro-1-methyl-indazol-3-amine
4-fluoro-1-methyl-indazol-3-amine ID: AN-17135
CAS:162502-44-5
Supplier:AN PharmaTech Co Ltd

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SMILES:Fc1c2c(n(nc2N)C)ccc1	15239648
FORMULA: C8H8FN3
MASS: 165.1676
EXACT MASS: 165.0702255
INTERATOMIC DISTANCES

              F   1      N   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   F   1    0.0000 
   N   2    3.3394     0.0000 
   N   3    3.1210     0.9941     0.0000 
   N   4    2.1370     2.5788     1.7763     0.0000 
   C   5    2.6457     0.9942     1.6095     2.5818     0.0000 
   C   6    1.7320     1.6118     1.6095     1.7763     1.0000     0.0000 
   C   7    2.1710     1.6095     0.9940     1.0000     1.6117     0.9941 
   C   8    3.0000     1.8228     2.5962     3.4782     1.0000     1.7320 
   C   9    1.0000     2.5577     2.5962     2.2532     1.7320     1.0000 
   C  10    4.3138     1.0000     1.7764     3.5105     1.7764     2.5819 
   C  11    2.6457     2.6956     3.3000     3.7443     1.7320     2.0000 
   C  12    1.7320     2.9792     3.3000     3.2418     2.0000     1.7320 
   H  13    3.6200     1.9872     2.8922     3.9873     1.4158     2.2901 
   H  14    4.2353     1.1766     2.1302     3.7497     1.5944     2.5373 
   H  15    4.9231     1.6199     2.3460     4.1043     2.3460     3.1926 
   H  16    4.4777     1.1766     1.5944     3.3698     2.1303     2.7683 
   H  17    3.1407     3.2152     3.8842     4.3602     2.2900     2.6199 
   H  18    1.8396     3.5979     3.8842     3.6503     2.6199     2.2900 
   H  19    2.7321     2.8401     1.9124     0.6200     3.0253     2.3208 
   H  20    1.7226     3.0233     2.3207     0.6200     2.8445     1.9125 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.5576     0.0000 
   C   9    1.8228     2.0000     0.0000 
   C  10    2.5788     2.2533     3.4783     0.0000 
   C  11    2.9792     1.0000     1.7320     3.2418     0.0000 
   C  12    2.6956     1.7320     1.0000     3.7443     1.0000     0.0000 
   H  13    3.0271     0.6200     2.6200     2.1272     1.4158     2.2901 
   H  14    2.7667     1.8029     3.3230     0.6200     2.8026     3.4279 
   H  15    3.1892     2.6776     4.0679     0.6200     3.6776     4.2678 
   H  16    2.5327     2.7701     3.7315     0.6201     3.7328     4.1302 
   H  17    3.5979     1.4157     2.2900     3.6503     0.6200     1.4158 
   H  18    3.2152     2.2900     1.4157     4.3603     1.4158     0.6200 
   H  19    1.4158     3.9703     2.8689     3.6886     4.3136     3.8524 
   H  20    1.4158     3.6425     2.0978     3.9935     3.7431     3.0947 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    1.5683     0.0000 
   H  15    2.4262     0.8768     0.0000 
   H  16    2.7129     1.2400     0.8768     0.0000 
   H  17    1.6199     3.1493     4.0226     4.1835     0.0000 
   H  18    2.8059     4.0285     4.8763     4.7502     1.6200     0.0000 
   H  19    4.4410     4.0133     4.2479     3.4458     4.9326     4.2696 
   H  20    4.2001     4.1683     4.6015     3.9103     4.3410     3.4150 

              H  19      H  20
              ----------------------
   H  19    0.0000 
   H  20    1.0738     0.0000 



ATOMIC CHARGES
   F   1   -0.2046850516
   N   2   -0.2648846585
   N   3   -0.1555344429
   N   4   -0.3411761204
   C   5    0.0732407075
   C   6    0.0762520073
   C   7    0.1486451888
   C   8   -0.0358198537
   C   9    0.1358727242
   C  10    0.0309210399
   C  11   -0.0570150064
   C  12   -0.0256173007
   H  13    0.0638791876
   H  14    0.0472768791
   H  15    0.0472768791
   H  16    0.0472768791
   H  17    0.0619084892
   H  18    0.0646328659
   H  19    0.1437747933
   H  20    0.1437747933


BOND ANGLES
   3    2    5  Nar  Nar  Car    108.094
   3    2   10  Nar  Nar   C3    125.956
   5    2   10  Car  Nar   C3    125.950
   2    3    7  Nar  Nar  Car    108.101
   7    4   19  Car  Npl   HC    120.000
   7    4   20  Car  Npl   HC    120.009
  19    4   20   HC  Npl   HC    119.990
   2    5    6  Nar  Car  Car    107.854
   2    5    8  Nar  Car  Car    132.146
   6    5    8  Car  Car  Car    120.001
   5    6    7  Car  Car  Car    107.848
   5    6    9  Car  Car  Car    120.001
   7    6    9  Car  Car  Car    132.151
   3    7    4  Nar  Car  Npl    125.953
   3    7    6  Nar  Car  Car    108.103
   4    7    6  Npl  Car  Car    125.944
   5    8   11  Car  Car  Car    119.999
   5    8   13  Car  Car   HC    120.001
  11    8   13  Car  Car   HC    120.001
   1    9    6    F  Car  Car    120.001
   1    9   12    F  Car  Car    120.001
   6    9   12  Car  Car  Car    119.999
   2   10   14  Nar   C3   HC     90.003
   2   10   15  Nar   C3   HC    179.974
   2   10   16  Nar   C3   HC     90.000
  14   10   15   HC   C3   HC     90.000
  14   10   16   HC   C3   HC    179.974
  15   10   16   HC   C3   HC     89.997
   8   11   12  Car  Car  Car    120.001
   8   11   17  Car  Car   HC    119.998
  12   11   17  Car  Car   HC    120.002
   9   12   11  Car  Car  Car    120.001
   9   12   18  Car  Car   HC    119.998
  11   12   18  Car  Car   HC    120.002


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