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2-Amino-6-bromo-indan-1-ol 1HCl salt
2-Amino-6-bromo-indan-1-ol 1HCl salt ID: B203993
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12c(CC(C1O)N)ccc(c2)Br	
FORMULA: C9H10BrNO
MASS: 228.0858
EXACT MASS: 226.9945759
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    0.9724     0.9724     0.6025     0.0000 
   C   5    0.9693     0.5996     0.9708     0.5991     0.0000 
   C   6    0.6010     1.0398     1.0975     1.5654     1.5380     0.0000 
   C   7    1.0398     0.6010     1.5409     1.5654     1.0979     1.2000 
   N   8    1.5542     1.5542     1.0714     0.6000     1.0695     2.1320 
   C   9    1.0375     1.1985     1.6193     1.9853     1.7890     0.5975 
   O  10    1.0725     1.5557     0.6008     1.0713     1.5530     1.3588 
   C  11    1.1985     1.0375     1.7908     1.9853     1.6188     1.0378 
  Br  12    1.5869     1.7995     2.1322     2.5548     2.3889     1.0375 

              C   7      N   8      C   9      O  10      C  11     Br  12
              ------------------------------------------------------------------
   C   7    0.0000 
   N   8    2.1320     0.0000 
   C   9    1.0378     2.5800     0.0000 
   O  10    2.0944     1.3068     1.9494     0.0000 
   C  11    0.5975     2.5800     0.6000     2.2517     0.0000 
  Br  12    1.5863     3.1411     0.6010     2.3616     1.0398     0.0000 




ATOMIC CHARGES
   C   1    0.0057285525
   C   2   -0.0221609128
   C   3    0.1916862955
   C   4    0.1306126420
   C   5    0.0480682611
   C   6    0.0045921306
   C   7   -0.0039479313
   N   8   -0.1295054869
   C   9    0.0343107932
   O  10   -0.2167318450
   C  11    0.0063558075
  Br  12   -0.0490083064


BOND ANGLES
   2    1    3  Car  Car   C3    108.182
   2    1    6  Car  Car  Car    119.944
   3    1    6   C3  Car  Car    131.875
   1    2    5  Car  Car   C3    107.800
   1    2    7  Car  Car  Car    119.944
   5    2    7   C3  Car  Car    132.256
   1    3    4  Car   C3   C3    107.811
   1    3   10  Car   C3   O3    126.366
   4    3   10   C3   C3   O3    125.822
   3    4    8   C3   C3   N3    125.993
   3    4    5   C3   C3   C3    107.778
   5    4    8   C3   C3   N3    126.229
   2    5    4  Car   C3   C3    108.429
   1    6    9  Car  Car  Car    119.917
   2    7   11  Car  Car  Car    119.917
   6    9   11  Car  Car  Car    120.140
   6    9   12  Car  Car   Br    119.917
  11    9   12  Car  Car   Br    119.944
   7   11    9  Car  Car  Car    120.140


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


CHIRAL ATOMS
   2    7   11    9      0.026
   2    7   11    9      0.026