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2-Amino-5,7-dichloro-indan-1-ol 1HCl salt
2-Amino-5,7-dichloro-indan-1-ol 1HCl salt ID: B204004
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12c(CC(C2O)N)cc(cc1Cl)Cl	
FORMULA: C9H9Cl2NO
MASS: 218.0799
EXACT MASS: 217.0061193
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.5291     0.0000 
   C   3    0.5303     0.9184     0.0000 
   C   4    0.5349     0.8617     0.9719     0.0000 
   C   5    0.8618     0.8630     1.3843     0.5309     0.0000 
   C   6    0.8617     0.5349     1.3642     0.8625     0.5342     0.0000 
   C   7    0.9209     1.0621     0.5339     1.4389     1.7614     1.5896 
   C   8    0.9184     0.5303     1.0625     1.3642     1.3859     0.9719 
   C   9    1.0621     0.9209     0.9204     1.5896     1.7620     1.4389 
  Cl  10    0.9220     1.4059     0.5333     1.1557     1.6629     1.7810 
   N  11    1.3753     1.3761     1.8842     0.9448     0.5292     0.9467 
   O  12    0.9487     1.3748     1.1994     0.5297     0.9454     1.3763 
  Cl  13    1.5923     1.4047     1.4060     2.1187     2.2637     1.8901 

              C   7      C   8      C   9     Cl  10      N  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.9204     0.0000 
   C   9    0.5291     0.5339     0.0000 
  Cl  10    0.9241     1.5958     1.4073     0.0000 
   N  11    2.2860     1.8854     2.2865     2.0974     0.0000 
   O  12    1.7273     1.8510     1.9934     1.1366     1.1544     0.0000 
  Cl  13    0.9183     0.9208     0.5303     1.8424     2.7808     2.5207 

             Cl  13
              -----------
  Cl  13    0.0000 



ATOMIC CHARGES
   C   1    0.0158790051
   C   2   -0.0205402826
   C   3    0.0566302598
   C   4    0.1924784334
   C   5    0.1306412865
   C   6    0.0481221391
   C   7    0.0225239749
   C   8    0.0069952132
   C   9    0.0581814373
  Cl  10   -0.0824756418
   N  11   -0.1295051006
   O  12   -0.2167032363
  Cl  13   -0.0822274880


BOND ANGLES
   2    1    3  Car  Car  Car    120.191
   2    1    4  Car  Car   C3    108.157
   3    1    4  Car  Car   C3    131.652
   1    2    6  Car  Car   C3    108.157
   1    2    8  Car  Car  Car    120.191
   6    2    8   C3  Car  Car    131.652
   1    3    7  Car  Car  Car    119.839
   1    3   10  Car  Car   Cl    120.191
   7    3   10  Car  Car   Cl    119.970
   1    4    5  Car   C3   C3    107.901
   1    4   12  Car   C3   O3    126.021
   5    4   12   C3   C3   O3    126.078
   4    5   11   C3   C3   N3    126.058
   4    5    6   C3   C3   C3    108.142
   6    5   11   C3   C3   N3    125.799
   2    6    5  Car   C3   C3    107.642
   3    7    9  Car  Car  Car    119.970
   2    8    9  Car  Car  Car    119.839
   7    9   13  Car  Car   Cl    120.197
   7    9    8  Car  Car  Car    119.970
   8    9   13  Car  Car   Cl    119.834


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


CHIRAL ATOMS
   2    8    9   13    179.974
   2    8    9   13    179.974