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1-(3,4-Dichloro-benzyl)-1H-indazol-5-ylamine 3HCl salt
1-(3,4-Dichloro-benzyl)-1H-indazol-5-ylamine 3HCl salt ID: B203984
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1(ncc2c1ccc(c2)N)Cc1cc(c(cc1)Cl)Cl	
FORMULA: C14H11Cl2N3
MASS: 292.1632
EXACT MASS: 291.0330027
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    0.7625     0.4658     0.4730     0.7633     0.0000 
   C   6    0.5208     0.9935     1.2233     0.8044     1.2833     0.0000 
   C   7    1.3699     1.4515     2.1070     1.8273     1.9128     1.1522 
   C   8    0.8632     1.2819     0.8176     0.4724     1.2109     0.9596 
   C   9    1.2109     1.2523     0.4724     0.8176     0.8632     1.6209 
   C  10    1.6662     1.8373     2.4264     2.0908     2.2874     1.3294 
   C  11    0.9275     1.0696     1.6735     1.3827     1.5164     0.7387 
   C  12    0.8635     1.2090     1.6182     1.2321     1.5900     0.4434 
   C  13    1.6304     1.9216     2.3871     1.9925     2.3361     1.1895 
   C  14    1.4088     1.5954     0.8166     0.9426     1.2750     1.7024 
  Cl  15    1.6076     1.5287     2.2756     2.0806     1.9900     1.5209 
   C  16    1.2750     1.6070     0.9426     0.8166     1.4087     1.4314 
   C  17    1.2832     1.6546     2.0172     1.5965     2.0270     0.7957 
  Cl  18    2.1508     2.2848     2.9075     2.5812     2.7435     1.8202 
   N  19    1.8839     2.0423     1.2518     1.4186     1.6816     2.1703 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.0980     0.0000 
   C   9    2.5715     0.9458     0.0000 
   C  10    0.4416     2.2863     2.8764     0.0000 
   C  11    0.4445     1.6638     2.1339     0.7710     0.0000 
   C  12    0.7667     1.3980     2.0409     0.8883     0.4445     0.0000 
   C  13    0.7690     2.0983     2.8062     0.4481     0.8916     0.7689 
   C  14    2.7698     0.8176     0.4724     3.0210     2.3253     2.1445 
  Cl  15    0.4808     2.4176     2.7479     0.8114     0.7845     1.1968 
   C  16    2.5635     0.4724     0.8176     2.7587     2.1256     1.8704 
   C  17    0.8869     1.6654     2.4141     0.7708     0.7726     0.4458 
  Cl  18    0.8353     2.7755     3.3617     0.4918     1.2378     1.3780 
   N  19    3.2458     1.2523     0.8208     3.4933     2.8012     2.6133 

              C  13      C  14     Cl  15      C  16      C  17     Cl  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    2.8818     0.0000 
  Cl  15    1.2185     3.0107     0.0000 
   C  16    2.5645     0.4708     2.8661     0.0000 
   C  17    0.4423     2.4596     1.3671     2.1282     0.0000 
  Cl  18    0.7862     3.5127     1.0000     3.2478     1.2016     0.0000 
   N  19    3.3419     0.4760     3.4829     0.8197     2.9141     3.9851 

              N  19
              -----------
   N  19    0.0000 



ATOMIC CHARGES
   N   1   -0.2463599364
   N   2   -0.1673925191
   C   3    0.0395180143
   C   4    0.0798396149
   C   5    0.1216281115
   C   6    0.1538044544
   C   7    0.0679454844
   C   8    0.0201768973
   C   9    0.0211486103
   C  10    0.0681794850
   C  11    0.0099124891
   C  12    0.0029967321
   C  13    0.0119861022
   C  14    0.0892388987
  Cl  15   -0.0813741846
   C  16    0.0195887605
   C  17   -0.0014166801
  Cl  18   -0.0813649724
   N  19   -0.1280553620


BOND ANGLES
   2    1    4  Nar  Nar  Car    108.995
   2    1    6  Nar  Nar   C3    143.041
   4    1    6  Car  Nar   C3    107.964
   1    2    5  Nar  Nar  Car    100.207
   4    3    9  Car  Car  Car    120.186
   4    3    5  Car  Car  Car    107.952
   5    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
   2    5    3  Nar  Car  Car    114.882
   1    6   12  Nar   C3  Car    126.978
  10    7   11  Car  Car  Car    120.939
  11    7   15  Car  Car   Cl    115.900
  10    7   15  Car  Car   Cl    123.161
   4    8   16  Car  Car  Car    119.629
   3    9   14  Car  Car  Car    119.629
   7   10   18  Car  Car   Cl    126.915
   7   10   13  Car  Car  Car    119.609
  13   10   18  Car  Car   Cl    113.476
   7   11   12  Car  Car  Car    119.180
   6   12   11   C3  Car  Car    112.608
  11   12   17  Car  Car  Car    120.413
   6   12   17   C3  Car  Car    126.978
  10   13   17  Car  Car  Car    119.915
  16   14   19  Car  Car  Npl    119.932
   9   14   16  Car  Car  Car    120.186
   9   14   19  Car  Car  Npl    119.883
   8   16   14  Car  Car  Car    120.186
  12   17   13  Car  Car  Car    119.944


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