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4-chlorobenzamidine hydrochloride
4-chlorobenzamidine hydrochloride ID: B187268
CAS:14401-51-5
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:C(=N)(c1ccc(cc1)Cl)N.Cl	
FORMULA: C7H8Cl2N2
MASS: 191.0578
EXACT MASS: 190.0064536
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.9969     0.0000 
   N   3    1.0000     1.7303     0.0000 
   C   4    1.7303     1.0000     2.6446     0.0000 
   C   5    1.7333     1.0041     2.0011     1.7344     0.0000 
   N   6    0.9969     1.7250     1.7303     1.9939     2.6435     0.0000 
   C   7    3.0017     2.0047     3.6069     1.7375     1.7324     3.6040 
   C   8    2.6466     1.7344     3.4647     1.0041     2.0000     2.9980 
   C   9    2.6476     1.7375     3.0017     2.0047     1.0006     3.4625 
  Cl  10    3.9986     3.0017     4.5814     2.6476     2.6439     4.5777 
  Cl  11    4.9876     4.1000     5.1842     4.2202     3.2677     5.8250 

              C   7      C   8      C   9     Cl  10     Cl  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    1.0006     0.0000 
   C   9    1.0000     1.7324     0.0000 
  Cl  10    0.9969     1.7292     1.7303     0.0000 
  Cl  11    2.5654     3.5606     2.3625     2.1213     0.0000 



ATOMIC CHARGES
   C   1    0.4766090777
   C   2    0.0975306081
   N   3    0.2047061705
   C   4    0.0088578583
   C   5    0.0088578583
   N   6    0.2047061705
   C   7    0.0576779802
   C   8    0.0116493534
   C   9    0.0116493534
  Cl  10   -0.0822444304
  Cl  11    0.0000000000


BOND ANGLES
   2    1    3  Car   C2  Ng+    120.101
   2    1    6  Car   C2  Ng+    119.797
   3    1    6  Ng+   C2  Ng+    120.101
   1    2    4   C2  Car  Car    120.101
   1    2    5   C2  Car  Car    120.035
   4    2    5  Car  Car  Car    119.864
   2    4    8  Car  Car  Car    119.864
   2    5    9  Car  Car  Car    120.156
   9    7   10  Car  Car   Cl    120.101
   8    7    9  Car  Car  Car    119.981
   8    7   10  Car  Car   Cl    119.918
   4    8    7  Car  Car  Car    120.156
   5    9    7  Car  Car  Car    119.981


TORSION ANGLES
   4    2    1    3    179.974
   4    2    1    6      0.026
   5    2    1    3      0.026
   5    2    1    6    179.974
   8    4    2    1    179.974
   8    4    2    5      0.026
   9    5    2    1    179.974
   9    5    2    4      0.026
  10    7    9    5    179.974
   8    7    9    5      0.026
   7    8    4    2      0.026
   7    9    5    2      0.026
   9    7    8    4      0.026
  10    7    8    4    179.974