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2-Amino-5-chloro-1,2,3,4-tetrahydro-naphthalen-1-ol 1HCl salt
2-Amino-5-chloro-1,2,3,4-tetrahydro-naphthalen-1-ol 1HCl salt ID: B204016
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12c(CCC(C1O)N)c(Cl)ccc2	
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    0.6000     0.0000 
   C   3    0.6011     1.0399     0.0000 
   C   4    1.0399     0.6011     1.2000     0.0000 
   C   5    1.0398     0.6010     1.5891     1.0417     0.0000 
   C   6    1.0375     1.1985     0.5974     1.0377     1.7995     0.0000 
   C   7    1.1985     1.0375     1.0377     0.5974     1.5869     0.6000 
   O   8    1.0399     1.5879     0.6000     1.8000     2.0797     1.0377 
   N   9    1.5870     1.7996     1.0375     1.5863     2.4006     0.6011 
  Cl  10    1.5878     1.0398     2.0797     1.2021     0.6000     2.1629 
   C  11    0.6010     1.0398     1.0417     1.5891     1.2000     1.5869 
   C  12    1.0375     1.1985     1.5870     1.7996     1.0378     2.0750 
   C  13    1.1985     1.0375     1.7996     1.5870     0.5975     2.1600 

              C   7      O   8      N   9     Cl  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    1.5865     0.0000 
   N   9    1.0399     1.1985     0.0000 
  Cl  10    1.7995     2.6163     2.7501     0.0000 
   C  11    1.7995     1.2021     2.0792     1.8000     0.0000 
   C  12    2.1600     1.7996     2.6132     1.5865     0.5975     0.0000 
   C  13    2.0750     2.1630     2.7475     1.0378     1.0378     0.6000 

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



ATOMIC CHARGES
   C   1    0.0059887211
   C   2   -0.0131125398
   C   3    0.1913704136
   C   4    0.0285504628
   C   5    0.0534675569
   C   6    0.1266329380
   C   7    0.0266739578
   O   8   -0.2167433727
   N   9   -0.1298532401
  Cl  10   -0.0825818322
   C  11   -0.0020518899
   C  12    0.0006012497
   C  13    0.0110575748


BOND ANGLES
   2    1    3  Car  Car   C3    119.939
   2    1   11  Car  Car  Car    119.944
   3    1   11   C3  Car  Car    120.118
   1    2    4  Car  Car   C3    119.939
   1    2    5  Car  Car  Car    119.944
   4    2    5   C3  Car  Car    120.118
   1    3    6  Car   C3   C3    119.917
   1    3    8  Car   C3   O3    119.939
   6    3    8   C3   C3   O3    120.145
   2    4    7  Car   C3   C3    119.917
   2    5   10  Car  Car   Cl    119.944
   2    5   13  Car  Car  Car    119.917
  10    5   13   Cl  Car  Car    120.140
   3    6    7   C3   C3   C3    120.145
   3    6    9   C3   C3   N3    119.917
   7    6    9   C3   C3   N3    119.939
   4    7    6   C3   C3   C3    120.145
   1   11   12  Car  Car  Car    119.917
  11   12   13  Car  Car  Car    120.140
   5   13   12  Car  Car  Car    120.140


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


CHIRAL ATOMS
  10    5   13   12    179.974
  10    5   13   12    179.974