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1-(4-Chloro-benzyl)-1H-indazol-5-ylamine 3HCl salt
1-(4-Chloro-benzyl)-1H-indazol-5-ylamine 3HCl salt ID: B203981
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1(ncc2c1ccc(c2)N)Cc1ccc(Cl)cc1	
FORMULA: C14H12ClN3
MASS: 257.7182
EXACT MASS: 257.0719751
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    0.5300     0.0000 
   C   3    0.7667     0.7913     0.0000 
   C   4    0.4730     0.8160     0.4750     0.0000 
   C   5    0.7666     0.4658     0.4730     0.7667     0.0000 
   C   6    0.5167     0.9935     1.2233     0.8009     1.2833     0.0000 
   C   7    0.8627     1.2819     0.8176     0.4703     1.2109     0.9596 
   C   8    1.2109     1.2509     0.4703     0.8176     0.8627     1.6173 
   C   9    1.4106     1.5955     0.8167     0.9448     1.2751     1.7025 
   C  10    0.7935     1.1718     1.5451     1.1466     1.5366     0.3548 
   C  11    1.2751     1.6078     0.9448     0.8167     1.4106     1.4295 
   C  12    1.5797     1.7680     2.3442     2.0007     2.2144     1.2390 
   N  13    1.8839     2.0415     1.2511     1.4187     1.6815     2.1677 
  Cl  14    2.1186     2.2631     2.8794     2.5467     2.7206     1.7855 
   C  15    0.8363     1.0043     1.5883     1.2899     1.4442     0.6542 
   C  16    1.2180     1.6132     1.9467     1.5157     1.9728     0.7234 
   C  17    1.5529     1.8642     2.3102     1.9065     2.2713     1.1059 
   C  18    1.2754     1.3714     2.0172     1.7321     1.8307     1.0616 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.9416     0.0000 
   C   9    0.8176     0.4703     0.0000 
   C  10    1.3070     1.9583     2.0571     0.0000 
   C  11    0.4703     0.8176     0.4750     1.7774     0.0000 
   C  12    2.1954     2.7889     2.9323     0.8884     2.6658     0.0000 
   N  13    1.2492     0.8209     0.4739     2.5224     0.8197     3.4017 
  Cl  14    2.7398     3.3294     3.4798     1.4333     3.2100     0.5475 
   C  15    1.5734     2.0441     2.2346     0.4445     2.0333     0.7710 
   C  16    1.5763     2.3330     2.3736     0.4416     2.0351     0.7709 
   C  17    2.0081     2.7215     2.7942     0.7654     2.4709     0.4460 
   C  18    2.0055     2.4780     2.6769     0.7667     2.4692     0.4458 

              N  13     Cl  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   N  13    0.0000 
  Cl  14    3.9492     0.0000 
   C  15    2.7084     1.2932     0.0000 
   C  16    2.8232     1.2524     0.7690     0.0000 
   C  17    3.2502     0.8321     0.8875     0.4425     0.0000 
   C  18    3.1507     0.8920     0.4423     0.8869     0.7690     0.0000 




ATOMIC CHARGES
   N   1   -0.2463602913
   N   2   -0.1673925204
   C   3    0.0395180143
   C   4    0.0798396133
   C   5    0.1216281115
   C   6    0.1537779550
   C   7    0.0201768973
   C   8    0.0211486103
   C   9    0.0892388987
   C  10    0.0021578322
   C  11    0.0195887605
   C  12    0.0576532955
   N  13   -0.1280553620
  Cl  14   -0.0822447030
   C  15   -0.0014703373
   C  16   -0.0014703373
   C  17    0.0111327814
   C  18    0.0111327814


BOND ANGLES
   2    1    4  Nar  Nar  Car    108.740
   2    1    6  Nar  Nar   C3    143.307
   4    1    6  Car  Nar   C3    107.952
   1    2    5  Nar  Nar  Car    100.474
   4    3    8  Car  Car  Car    119.743
   4    3    5  Car  Car  Car    107.952
   5    3    8  Car  Car  Car    132.304
   1    4    3  Nar  Car  Car    107.952
   3    4    7  Car  Car  Car    119.743
   1    4    7  Nar  Car  Car    132.304
   2    5    3  Nar  Car  Car    114.882
   1    6   10  Nar   C3  Car    130.244
   4    7   11  Car  Car  Car    120.519
   3    8    9  Car  Car  Car    120.519
  11    9   13  Car  Car  Npl    119.491
   8    9   11  Car  Car  Car    119.737
   8    9   13  Car  Car  Npl    120.771
   6   10   15   C3  Car  Car    109.349
   6   10   16   C3  Car  Car    130.244
  15   10   16  Car  Car  Car    120.407
   7   11    9  Car  Car  Car    119.737
  14   12   18   Cl  Car  Car    127.500
  17   12   18  Car  Car  Car    119.146
  14   12   17   Cl  Car  Car    113.354
  10   15   18  Car  Car  Car    119.649
  10   16   17  Car  Car  Car    119.949
  12   17   16  Car  Car  Car    120.365
  12   18   15  Car  Car  Car    120.484


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