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6-Amino-3-chloro-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ol 1HCl salt
6-Amino-3-chloro-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ol 1HCl salt ID: B204050
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12C(C(N)CCCc1ccc(c2)Cl)O	
FORMULA: C11H14ClNO
MASS: 211.6880
EXACT MASS: 211.0763918
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.5335     0.0000 
   C   3    0.5292     0.9578     0.0000 
   C   4    0.5303     0.8775     0.9184     0.0000 
   C   5    0.9622     0.5338     1.1980     1.3968     0.0000 
   C   6    0.9185     1.4285     0.5303     1.0625     1.7244     0.0000 
   C   7    0.9209     1.3784     1.0621     0.5338     1.8710     0.9205 
   O   8    0.9014     0.5297     1.4115     0.9568     0.8987     1.8122 
   N   9    1.4142     0.9000     1.7164     1.7627     0.5277     2.2375 
   C  10    1.0621     1.5915     0.9209     0.9204     2.0025     0.5339 
  Cl  11    1.4047     1.7970     1.5923     0.9208     2.3172     1.4060 
   C  12    1.1954     1.1946     0.9613     1.7220     0.9583     1.3970 
   C  13    0.9578     1.1958     0.5335     1.4285     1.1982     0.8775 
   C  14    1.1958     0.9579     1.1967     1.7090     0.5311     1.7103 

              C   7      O   8      N   9      C  10     Cl  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    1.4876     0.0000 
   N   9    2.2762     0.9915     0.0000 
   C  10    0.5292     1.8420     2.4752     0.0000 
  Cl  11    0.5302     1.7777     2.6705     0.9183     0.0000 
   C  12    2.0009     1.7146     1.4098     1.8705     2.5266     0.0000 
   C  13    1.5915     1.7165     1.7168     1.3784     2.1213     0.5347 
   C  14    2.1039     1.4102     0.8972     2.1045     2.6002     0.5311 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    0.9605     0.0000 



ATOMIC CHARGES
   C   1    0.0060198956
   C   2    0.1913601107
   C   3   -0.0236884250
   C   4    0.0092901837
   C   5    0.1263085050
   C   6   -0.0036346762
   C   7    0.0574163150
   O   8   -0.2167435184
   N   9   -0.1298643394
   C  10    0.0110535870
  Cl  11   -0.0822539271
   C  12    0.0062479565
   C  13    0.0261619750
   C  14    0.0223263576


BOND ANGLES
   2    1    3   C3  Car  Car    128.661
   2    1    4   C3  Car  Car    111.157
   3    1    4  Car  Car  Car    120.182
   1    2    5  Car   C3   C3    128.711
   1    2    8  Car   C3   O3    115.945
   5    2    8   C3   C3   O3    115.344
   1    3    6  Car  Car  Car    120.191
   1    3   13  Car  Car   C3    128.661
   6    3   13  Car  Car   C3    111.147
   1    4    7  Car  Car  Car    119.858
   2    5    9   C3   C3   N3    115.956
   2    5   14   C3   C3   C3    128.184
   9    5   14   N3   C3   C3    115.860
   3    6   10  Car  Car  Car    119.839
   4    7   10  Car  Car  Car    119.961
   4    7   11  Car  Car   Cl    119.852
  10    7   11  Car  Car   Cl    120.187
   6   10    7  Car  Car  Car    119.970
  13   12   14   C3   C3   C3    128.608
   3   13   12  Car   C3   C3    128.282
   5   14   12   C3   C3   C3    128.891


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


CHIRAL ATOMS
   3    6   10    7      0.026
   3    6   10    7      0.026