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2-Amino-5,7-difluoro-1,2,3,4-tetrahydro-naphthalen-1-ol 1HCl salt
2-Amino-5,7-difluoro-1,2,3,4-tetrahydro-naphthalen-1-ol 1HCl salt ID: B204018
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12c(c(cc(c2)F)F)CCC(C1O)N	
FORMULA: C10H11F2NO
MASS: 199.1972
EXACT MASS: 199.0808704
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    0.6010     1.0398     0.0000 
   C   4    1.0399     0.6011     1.5891     0.0000 
   C   5    1.1985     1.0375     1.7995     0.5974     0.0000 
   C   6    1.0398     0.6010     1.2000     1.0417     1.5869     0.0000 
   C   7    0.6011     1.0399     1.0417     1.2000     1.0377     1.5891 
   C   8    1.0375     1.1985     1.5869     1.0377     0.6000     1.7995 
   C   9    1.0416     1.2021     0.6010     1.8032     2.1639     1.0398 
   C  10    1.2021     1.0416     1.0398     1.5910     2.0791     0.6010 
   F  11    1.5879     1.0399     2.0797     0.6000     1.0377     1.2021 
   O  12    1.0398     1.5878     0.6000     2.0797     2.1629     1.8000 
   N  13    1.5869     1.7995     1.0375     2.4006     2.7474     1.5863 
   F  14    1.5870     1.7996     2.0792     1.5863     1.0399     2.4006 

              C   7      C   8      C   9      C  10      F  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.5974     0.0000 
   C   9    1.5910     2.0791     0.0000 
   C  10    1.8032     2.1639     0.6000     0.0000 
   F  11    1.8000     1.5865     2.1660     1.8032     0.0000 
   O  12    1.2021     1.7995     1.0398     1.5878     2.6163     0.0000 
   N  13    2.0792     2.6131     0.5975     1.0378     2.7501     1.1985 
   F  14    1.0375     0.6011     2.6173     2.7514     2.0776     2.1640 

              N  13      F  14
              ----------------------
   N  13    0.0000 
   F  14    3.1167     0.0000 



ATOMIC CHARGES
   C   1    0.0095605680
   C   2    0.0039102700
   C   3    0.1914838765
   C   4    0.1381466245
   C   5    0.0589004386
   C   6    0.0299744638
   C   7    0.0276797234
   C   8    0.1421282496
   C   9    0.1266351079
   C  10    0.0267208625
   F  11   -0.2044391123
   O  12   -0.2167417920
   N  13   -0.1298532308
   F  14   -0.2041060498


BOND ANGLES
   2    1    3  Car  Car   C3    119.944
   2    1    7  Car  Car  Car    119.939
   3    1    7   C3  Car  Car    120.118
   1    2    4  Car  Car  Car    119.939
   1    2    6  Car  Car   C3    119.944
   4    2    6  Car  Car   C3    120.118
   1    3    9  Car   C3   C3    120.113
   1    3   12  Car   C3   O3    119.944
   9    3   12   C3   C3   O3    119.944
   2    4   11  Car  Car    F    119.939
   2    4    5  Car  Car  Car    119.917
   5    4   11  Car  Car    F    120.145
   4    5    8  Car  Car  Car    120.145
   2    6   10  Car   C3   C3    120.113
   1    7    8  Car  Car  Car    119.917
   5    8    7  Car  Car  Car    120.145
   5    8   14  Car  Car    F    119.939
   7    8   14  Car  Car    F    119.917
   3    9   10   C3   C3   C3    119.944
   3    9   13   C3   C3   N3    119.917
  10    9   13   C3   C3   N3    120.140
   6   10    9   C3   C3   C3    119.944


TORSION ANGLES
   4    2    1    3    179.974
   4    2    1    7      0.026
   6    2    1    3      0.026
   6    2    1    7    179.974
   9    3    1    2      0.026
   9    3    1    7    179.974
  12    3    1    2    179.974
  12    3    1    7      0.026
  11    4    2    1    179.974
  11    4    2    6      0.026
   5    4    2    1      0.026
   5    4    2    6    179.974
   4    5    8    7      0.026
   4    5    8   14    179.974
  10    6    2    1      0.026
  10    6    2    4    179.974
   8    7    1    2      0.026
   8    7    1    3    179.974
   5    8    7    1      0.026
  14    8    7    1    179.974
  10    9    3    1      0.026
  10    9    3   12    179.974
  13    9    3    1    179.974
  13    9    3   12      0.026
   6   10    9    3      0.026
   6   10    9   13    179.974
   9   10    6    2      0.026
   2    4    5    8      0.026
  11    4    5    8    179.974


CHIRAL ATOMS
  11    4    5    8    179.974
  11    4    5    8    179.974