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5-fluoro-3-iodo-2H-indazole
5-fluoro-3-iodo-2H-indazole ID: AN-27127
CAS:858629-06-8
Supplier:AN PharmaTech Co Ltd

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SMILES:Ic1[nH]nc2c1cc(F)cc2	24728241
FORMULA: C7H4FIN2
MASS: 262.0229
EXACT MASS: 261.9403244
INTERATOMIC DISTANCES

              I   1      F   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   I   1    0.0000 
   F   2    3.9283     0.0000 
   N   3    1.7763     4.2473     0.0000 
   N   4    2.5788     3.9774     0.9941     0.0000 
   C   5    1.7763     2.6458     1.6094     1.6118     0.0000 
   C   6    2.5818     3.0000     1.6094     0.9941     1.0000     0.0000 
   C   7    1.0000     3.5497     0.9940     1.6095     0.9941     1.6117 
   C   8    2.2533     1.7320     2.5962     2.5577     1.0001     1.7321 
   C   9    3.4783     2.6457     2.5962     1.8228     1.7321     1.0001 
   C  10    3.2419     1.0000     3.3000     2.9792     1.7321     2.0000 
   C  11    3.7443     1.7320     3.3000     2.6956     2.0000     1.7321 
   H  12    2.1273     1.8396     2.8922     3.0272     1.4158     2.2901 
   H  13    3.9874     3.1407     2.8922     1.9872     2.2901     1.4158 
   H  14    1.9693     4.8521     0.6200     1.4479     2.2072     2.2072 
   H  15    4.3603     1.8397     3.8842     3.2152     2.6200     2.2901 

              C   7      C   8      C   9      C  10      C  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.8228     0.0000 
   C   9    2.5576     2.0000     0.0000 
   C  10    2.6956     1.0000     1.7320     0.0000 
   C  11    2.9792     1.7320     1.0000     1.0000     0.0000 
   H  12    1.9872     0.6200     2.6200     1.4158     2.2901     0.0000 
   H  13    3.0271     2.6200     0.6200     2.2901     1.4158     3.2400 
   H  14    1.4478     3.1774     3.1774     3.9140     3.9140     3.4235 
   H  15    3.5979     2.2900     1.4157     1.4158     0.6200     2.8059 

              H  13      H  14      H  15
              ---------------------------------
   H  13    0.0000 
   H  14    3.4235     0.0000 
   H  15    1.6199     4.4924     0.0000 



ATOMIC CHARGES
   I   1   -0.0219079503
   F   2   -0.2054665294
   N   3   -0.2703959937
   N   4   -0.1729177516
   C   5    0.0355566532
   C   6    0.0937196026
   C   7    0.1040928193
   C   8   -0.0147571457
   C   9   -0.0312454065
   C  10    0.1241702198
   C  11   -0.0243527737
   H  12    0.0653475566
   H  13    0.0640314639
   H  14    0.1894483847
   H  15    0.0646768508


BOND ANGLES
   4    3    7  Nar  Nar  Car    108.101
   4    3   14  Nar  Nar   HC    125.948
   7    3   14  Car  Nar   HC    125.951
   3    4    6  Nar  Nar  Car    108.092
   6    5    7  Car  Car  Car    107.850
   6    5    8  Car  Car  Car    119.998
   7    5    8  Car  Car  Car    132.152
   4    6    5  Nar  Car  Car    107.855
   4    6    9  Nar  Car  Car    132.147
   5    6    9  Car  Car  Car    119.998
   1    7    3    I  Car  Nar    125.947
   1    7    5    I  Car  Car    125.951
   3    7    5  Nar  Car  Car    108.101
   5    8   10  Car  Car  Car    120.001
   5    8   12  Car  Car   HC    119.998
  10    8   12  Car  Car   HC    120.001
   6    9   11  Car  Car  Car    120.001
   6    9   13  Car  Car   HC    119.998
  11    9   13  Car  Car   HC    120.001
   2   10    8    F  Car  Car    119.999
   2   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   15  Car  Car   HC    119.998
  10   11   15  Car  Car   HC    120.002


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