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2-Amino-4-fluoro-indan-1-ol 1HCl salt
2-Amino-4-fluoro-indan-1-ol 1HCl salt ID: B203997
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12c(C(C(C1)N)O)cccc2F	
FORMULA: C9H10FNO
MASS: 167.1802
EXACT MASS: 167.0746422
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    0.5995     0.9692     0.0000 
   C   4    0.9726     0.6008     0.9708     0.0000 
   C   5    0.9684     0.9684     0.5967     0.6001     0.0000 
   C   6    0.6011     1.0399     1.0979     1.5409     1.5616     0.0000 
   N   7    1.5501     1.5501     1.0659     1.0678     0.6000     2.1280 
   O   8    1.5536     1.0694     1.5525     0.5995     1.0713     2.0918 
   F   9    1.0399     1.5879     1.3059     2.0098     1.8758     0.6000 
   C  10    1.0399     0.6011     1.5380     1.0975     1.5616     1.2000 
   C  11    1.2021     1.0417     1.7927     1.6234     1.9853     1.0398 
   C  12    1.0417     1.2021     1.6229     1.7945     1.9853     0.6010 

              N   7      O   8      F   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   O   8    1.3068     0.0000 
   F   9    2.3682     2.5934     0.0000 
   C  10    2.1280     1.3549     1.8000     0.0000 
   C  11    2.5800     1.9493     1.5878     0.6010     0.0000 
   C  12    2.5800     2.2516     1.0398     1.0398     0.6000     0.0000 




ATOMIC CHARGES
   C   1    0.0052672961
   C   2    0.0073856634
   C   3    0.0503454036
   C   4    0.1917409105
   C   5    0.1306875530
   C   6    0.1359521553
   N   7   -0.1295044781
   O   8   -0.2167310873
   F   9   -0.2045139254
   C  10   -0.0019619630
   C  11    0.0020399167
   C  12    0.0292925551


BOND ANGLES
   2    1    3  Car  Car   C3    107.803
   2    1    6  Car  Car  Car    119.939
   3    1    6   C3  Car  Car    132.258
   1    2    4  Car  Car   C3    108.185
   1    2   10  Car  Car  Car    119.939
   4    2   10   C3  Car  Car    131.877
   1    3    5  Car   C3   C3    108.108
   2    4    8  Car   C3   O3    125.988
   2    4    5  Car   C3   C3    107.492
   5    4    8   C3   C3   O3    126.520
   3    5    7   C3   C3   N3    125.912
   3    5    4   C3   C3   C3    108.412
   4    5    7   C3   C3   N3    125.676
   1    6    9  Car  Car    F    119.939
   1    6   12  Car  Car  Car    120.118
   9    6   12    F  Car  Car    119.944
   2   10   11  Car  Car  Car    120.118
  10   11   12  Car  Car  Car    119.944
   6   12   11  Car  Car  Car    119.944


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