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1-(2-Chloro-benzyl)-1H-indazol-5-ylamine 3HCl salt
1-(2-Chloro-benzyl)-1H-indazol-5-ylamine 3HCl salt ID: B203983
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1(ncc2c1ccc(c2)N)Cc1c(Cl)cccc1	
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    0.5267     0.0000 
   C   3    0.7634     0.7913     0.0000 
   C   4    0.4731     0.8145     0.4708     0.0000 
   C   5    0.5208     0.9935     1.2233     0.8044     0.0000 
   C   6    0.7625     0.4658     0.4730     0.7633     1.2833     0.0000 
   C   7    0.8635     1.2090     1.6182     1.2321     0.4434     1.5900 
   C   8    0.8632     1.2819     0.8176     0.4724     0.9596     1.2109 
   C   9    1.2109     1.2523     0.4724     0.8176     1.6209     0.8632 
   C  10    0.9275     1.0696     1.6735     1.3827     0.7387     1.5164 
   C  11    1.4088     1.5954     0.8166     0.9426     1.7024     1.2750 
   C  12    1.2750     1.6070     0.9426     0.8166     1.4314     1.4087 
  Cl  13    0.7422     0.6567     1.3785     1.2094     0.8575     1.1222 
   N  14    1.8839     2.0423     1.2518     1.4186     2.1703     1.6816 
   C  15    1.2832     1.6546     2.0172     1.5965     0.7957     2.0270 
   C  16    1.3699     1.4515     2.1070     1.8273     1.1522     1.9128 
   C  17    1.6304     1.9216     2.3871     1.9925     1.1895     2.3361 
   C  18    1.6662     1.8373     2.4264     2.0908     1.3294     2.2874 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.3980     0.0000 
   C   9    2.0409     0.9458     0.0000 
   C  10    0.4445     1.6638     2.1339     0.0000 
   C  11    2.1445     0.8176     0.4724     2.3253     0.0000 
   C  12    1.8704     0.4724     0.8176     2.1256     0.4708     0.0000 
  Cl  13    0.8018     1.5958     1.8508     0.4792     2.1228     2.0172 
   N  14    2.6133     1.2523     0.8208     2.8012     0.4760     0.8197 
   C  15    0.4458     1.6654     2.4141     0.7726     2.4596     2.1282 
   C  16    0.7667     2.0980     2.5715     0.4445     2.7698     2.5635 
   C  17    0.7689     2.0983     2.8062     0.8916     2.8818     2.5645 
   C  18    0.8883     2.2863     2.8764     0.7710     3.0210     2.7587 

             Cl  13      N  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
  Cl  13    0.0000 
   N  14    2.5921     0.0000 
   C  15    1.2122     2.9141     0.0000 
   C  16    0.8018     3.2458     0.8869     0.0000 
   C  17    1.3708     3.3419     0.4423     0.7690     0.0000 
   C  18    1.2096     3.4933     0.7708     0.4416     0.4481     0.0000 




ATOMIC CHARGES
   N   1   -0.2463321796
   N   2   -0.1673921984
   C   3    0.0395180160
   C   4    0.0798400197
   C   5    0.1546123083
   C   6    0.1216281130
   C   7    0.0126942466
   C   8    0.0201768990
   C   9    0.0211486103
   C  10    0.0555651533
   C  11    0.0892388987
   C  12    0.0195887605
  Cl  13   -0.0825103175
   N  14   -0.1280553620
   C  15   -0.0014972437
   C  16    0.0111372393
   C  17   -0.0002079099
   C  18    0.0008469466


BOND ANGLES
   2    1    4  Nar  Nar  Car    108.995
   2    1    5  Nar  Nar   C3    143.041
   4    1    5  Car  Nar   C3    107.964
   1    2    6  Nar  Nar  Car    100.207
   4    3    9  Car  Car  Car    120.186
   4    3    6  Car  Car  Car    107.952
   6    3    9  Car  Car  Car    131.862
   1    4    3  Nar  Car  Car    107.964
   3    4    8  Car  Car  Car    120.186
   1    4    8  Nar  Car  Car    131.850
   1    5    7  Nar   C3  Car    126.978
   2    6    3  Nar  Car  Car    114.882
   5    7   10   C3  Car  Car    112.608
   5    7   15   C3  Car  Car    126.978
  10    7   15  Car  Car  Car    120.413
   4    8   12  Car  Car  Car    119.629
   3    9   11  Car  Car  Car    119.629
   7   10   13  Car  Car   Cl    120.413
   7   10   16  Car  Car  Car    119.180
  13   10   16   Cl  Car  Car    120.407
  12   11   14  Car  Car  Npl    119.932
   9   11   12  Car  Car  Car    120.186
   9   11   14  Car  Car  Npl    119.883
   8   12   11  Car  Car  Car    120.186
   7   15   17  Car  Car  Car    119.944
  10   16   18  Car  Car  Car    120.939
  15   17   18  Car  Car  Car    119.915
  16   18   17  Car  Car  Car    119.609


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