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2-Amino-8-chloro-1,2,3,4-tetrahydro-naphthalen-1-ol 1HCl salt
2-Amino-8-chloro-1,2,3,4-tetrahydro-naphthalen-1-ol 1HCl salt ID: B204020
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12C(C(CCc1cccc2Cl)N)O	
FORMULA: C10H12ClNO
MASS: 197.6614
EXACT MASS: 197.0607417
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.5318     0.0000 
   C   3    0.5333     0.9204     0.0000 
   C   4    0.5282     0.9208     0.9183     0.0000 
   C   5    0.9209     0.5282     1.0642     1.4040     0.0000 
   C   6    0.9241     1.0625     0.5339     1.4060     0.9220     0.0000 
   C   7    1.0642     0.9184     0.9209     1.5923     0.5333     0.5303 
   O   8    0.9205     0.5334     1.4074     1.0641     0.9185     1.5959 
   N   9    1.4081     0.9209     1.5960     1.8417     0.5318     1.4060 
  Cl  10    0.9184     1.0641     1.4060     0.5334     1.5924     1.8425 
   C  11    1.0641     1.5959     0.9208     0.9204     1.9174     1.4088 
   C  12    0.9220     1.4060     0.5303     1.0625     1.5944     0.9208 
   C  13    0.9208     1.4080     1.0641     0.5318     1.8417     1.5980 

              C   7      O   8      N   9     Cl  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    1.4060     0.0000 
   N   9    0.9204     1.0642     0.0000 
  Cl  10    1.9155     0.9208     1.9174     0.0000 
   C  11    1.8417     1.9184     2.4378     1.4074     0.0000 
   C  12    1.4047     1.8425     2.1262     1.5959     0.5339     0.0000 
   C  13    1.9174     1.5959     2.3191     0.9205     0.5333     0.9241 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   C   1    0.0157692450
   C   2    0.1921514777
   C   3   -0.0228804336
   C   4    0.0557894420
   C   5    0.1266603872
   C   6    0.0277211623
   C   7    0.0266468687
   O   8   -0.2167149164
   N   9   -0.1298528595
  Cl  10   -0.0825030546
   C  11    0.0005250348
   C  12   -0.0044467576
   C  13    0.0111344039


BOND ANGLES
   2    1    3   C3  Car  Car    119.578
   2    1    4   C3  Car  Car    120.619
   3    1    4  Car  Car  Car    119.803
   1    2    5  Car   C3   C3    120.625
   1    2    8  Car   C3   O3    119.578
   5    2    8   C3   C3   O3    119.797
   1    3    6  Car  Car   C3    119.970
   1    3   12  Car  Car  Car    120.197
   6    3   12   C3  Car  Car    119.834
   1    4   10  Car  Car   Cl    119.803
   1    4   13  Car  Car  Car    120.619
  10    4   13   Cl  Car  Car    119.578
   2    5    7   C3   C3   C3    119.797
   2    5    9   C3   C3   N3    120.625
   7    5    9   C3   C3   N3    119.578
   3    6    7  Car   C3   C3    119.839
   5    7    6   C3   C3   C3    120.191
  12   11   13  Car  Car  Car    119.970
   3   12   11  Car  Car  Car    119.834
   4   13   11  Car  Car  Car    119.578


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


CHIRAL ATOMS
   5    7    6    3      0.026
   5    7    6    3      0.026