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6-Amino-2,4-dichloro-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ol 1HCl salt
6-Amino-2,4-dichloro-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ol 1HCl salt ID: B204048
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12c(cc(cc1CCCC(C2O)N)Cl)Cl	
FORMULA: C11H13Cl2NO
MASS: 246.1330
EXACT MASS: 245.0374194
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.5339     0.0000 
   C   3    0.5291     0.9204     0.0000 
   C   4    0.5337     0.8817     0.9579     0.0000 
   C   5    0.9208     0.5303     1.0620     1.3784     0.0000 
   C   6    0.9204     1.0625     0.5339     1.4311     0.9183     0.0000 
   C   7    1.0620     0.9183     0.9208     1.5915     0.5291     0.5303 
   C   8    0.9573     1.3970     1.1921     0.5307     1.8663     1.7220 
  Cl   9    0.9241     0.5333     1.4073     0.9953     0.9220     1.5958 
   O  10    1.0431     1.2566     1.4852     0.5282     1.7852     1.9554 
   N  11    1.4144     1.7668     1.7164     0.9000     2.2762     2.2407 
  Cl  12    1.5922     1.4032     1.4047     2.1213     0.9183     0.9166 
   C  13    0.9579     1.4311     0.5337     1.1959     1.5915     0.8817 
   C  14    1.1921     1.7220     0.9573     1.1927     1.9970     1.3970 
   C  15    1.1927     1.7103     1.1918     0.9572     2.1003     1.7090 

              C   7      C   8     Cl   9      O  10      N  11     Cl  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.9970     0.0000 
  Cl   9    1.4059     1.5145     0.0000 
   O  10    2.0747     0.6325     1.1417     0.0000 
   N  11    2.4752     0.5336     1.7376     0.6096     0.0000 
  Cl  12    0.5303     2.5228     1.8403     2.5994     3.0051     0.0000 
   C  13    1.3784     1.1927     1.8807     1.6749     1.7169     1.7970 
   C  14    1.8663     0.9541     2.0797     1.5542     1.4107     2.3131 
   C  15    2.0998     0.5311     1.9438     1.1634     0.9018     2.5961 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    0.5307     0.0000 
   C  15    0.9546     0.5274     0.0000 



ATOMIC CHARGES
   C   1    0.0158212507
   C   2    0.0566295421
   C   3   -0.0220897906
   C   4    0.1921413256
   C   5    0.0225239697
   C   6    0.0069481208
   C   7    0.0581808604
   C   8    0.1263363059
  Cl   9   -0.0824756447
   O  10   -0.2167150632
   N  11   -0.1298639574
  Cl  12   -0.0822274904
   C  13    0.0262151828
   C  14    0.0062486473
   C  15    0.0223267410


BOND ANGLES
   2    1    3  Car  Car  Car    119.970
   2    1    4  Car  Car   C3    111.367
   3    1    4  Car  Car   C3    128.663
   1    2    5  Car  Car  Car    119.834
   1    2    9  Car  Car   Cl    119.970
   5    2    9  Car  Car   Cl    120.197
   1    3    6  Car  Car  Car    119.970
   1    3   13  Car  Car   C3    128.663
   6    3   13  Car  Car   C3    111.367
   1    4    8  Car   C3   C3    128.167
   1    4   10  Car   C3   O3    158.466
   8    4   10   C3   C3   O3     73.367
   2    5    7  Car  Car  Car    120.197
   3    6    7  Car  Car  Car    119.834
   5    7   12  Car  Car   Cl    120.197
   5    7    6  Car  Car  Car    120.197
   6    7   12  Car  Car   Cl    119.607
   4    8   11   C3   C3   N3    115.485
   4    8   15   C3   C3   C3    128.726
  11    8   15   N3   C3   C3    115.789
   3   13   14  Car   C3   C3    128.167
  13   14   15   C3   C3   C3    128.918
   8   15   14   C3   C3   C3    128.695


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


CHIRAL ATOMS
   3    6    7   12    179.974
   3    6    7   12    179.974