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2-Amino-4-chloro-indan-1-ol 1HCl salt
2-Amino-4-chloro-indan-1-ol 1HCl salt ID: B203996
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12c(C(C(C1)N)O)cccc2Cl	
FORMULA: C9H10ClNO
MASS: 183.6348
EXACT MASS: 183.0450916
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    0.6009     0.9727     0.0000 
   C   4    0.9694     0.5996     0.9709     0.0000 
   C   5    0.9724     0.9724     0.6025     0.5992     0.0000 
   C   6    0.5974     1.0377     1.0933     1.5351     1.5615     0.0000 
   N   7    1.5542     1.5542     1.0714     1.0696     0.6000     2.1279 
   O   8    1.5521     1.0696     1.5531     0.6008     1.0673     2.0885 
  Cl   9    1.0377     1.5865     1.3001     2.0041     1.8757     0.6000 
   C  10    1.0377     0.5974     1.5380     1.0937     1.5615     1.2000 
   C  11    1.1985     1.0375     1.7908     1.6188     1.9853     1.0399 
   C  12    1.0375     1.1985     1.6193     1.7890     1.9853     0.6011 

              N   7      O   8     Cl   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   O   8    1.3035     0.0000 
  Cl   9    2.3681     2.5898     0.0000 
   C  10    2.1279     1.3535     1.8000     0.0000 
   C  11    2.5800     1.9478     1.5879     0.6011     0.0000 
   C  12    2.5800     2.2492     1.0399     1.0399     0.6000     0.0000 




ATOMIC CHARGES
   C   1   -0.0116108350
   C   2    0.0060458791
   C   3    0.0489236985
   C   4    0.1916970775
   C   5    0.1306404022
   C   6    0.0535135906
   N   7   -0.1295051133
   O   8   -0.2167316962
  Cl   9   -0.0825812451
   C  10   -0.0020511727
   C  11    0.0006012548
   C  12    0.0110581596


BOND ANGLES
   2    1    3  Car  Car   C3    108.182
   2    1    6  Car  Car  Car    120.145
   3    1    6   C3  Car  Car    131.674
   1    2    4  Car  Car   C3    107.809
   1    2   10  Car  Car  Car    120.145
   4    2   10   C3  Car  Car    132.046
   1    3    5  Car   C3   C3    107.811
   2    4    8  Car   C3   O3    125.994
   2    4    5  Car   C3   C3    108.414
   5    4    8   C3   C3   O3    125.592
   3    5    7   C3   C3   N3    125.993
   3    5    4   C3   C3   C3    107.783
   4    5    7   C3   C3   N3    126.224
   1    6    9  Car  Car   Cl    120.145
   1    6   12  Car  Car  Car    119.917
   9    6   12   Cl  Car  Car    119.939
   2   10   11  Car  Car  Car    119.917
  10   11   12  Car  Car  Car    119.939
   6   12   11  Car  Car  Car    119.939


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


CHIRAL ATOMS
   6   12   11   10      0.026
   6   12   11   10      0.026