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2-Amino-7-fluoro-1,2,3,4-tetrahydro-naphthalen-1-ol 1HCl salt
2-Amino-7-fluoro-1,2,3,4-tetrahydro-naphthalen-1-ol 1HCl salt ID: B204012
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12C(C(CCc1ccc(c2)F)N)O	
FORMULA: C10H12FNO
MASS: 181.2068
EXACT MASS: 181.0902922
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6011     0.0000 
   C   3    0.6000     1.0399     0.0000 
   C   4    0.6010     1.0417     1.0398     0.0000 
   C   5    1.0375     0.5974     1.1985     1.5869     0.0000 
   C   6    1.0399     1.2000     0.6011     1.5891     1.0377     0.0000 
   C   7    1.1985     1.0377     1.0375     1.7995     0.6000     0.5974 
   C   8    1.0398     1.5891     0.6010     1.2000     1.7995     1.0417 
   C   9    1.0416     1.5910     1.2021     0.6010     2.0791     1.8032 
   O  10    1.0399     0.6000     1.5879     1.2021     1.0377     1.8000 
   N  11    1.5870     1.0375     1.7996     2.0792     0.6011     1.5863 
   C  12    1.2021     1.8032     1.0416     1.0398     2.1639     1.5910 
   F  13    1.5869     2.0792     1.7995     1.0375     2.6131     2.4006 

              C   7      C   8      C   9      O  10      N  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.5869     0.0000 
   C   9    2.1639     1.0398     0.0000 
   O  10    1.5865     2.0797     1.8032     0.0000 
   N  11    1.0399     2.4006     2.6173     1.1985     0.0000 
   C  12    2.0791     0.6010     0.6000     2.1660     2.7514     0.0000 
   F  13    2.7474     1.5863     0.5975     2.1640     3.1167     1.0378 

              F  13
              -----------
   F  13    0.0000 



ATOMIC CHARGES
   C   1    0.0074142875
   C   2    0.1914150022
   C   3   -0.0235518968
   C   4    0.0275348788
   C   5    0.1266331963
   C   6    0.0276962098
   C   7    0.0266461527
   C   8   -0.0021950512
   C   9    0.1398881211
   O  10   -0.2167427558
   N  11   -0.1298532389
   C  12    0.0292966369
   F  13   -0.2041815426


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


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


CHIRAL ATOMS
   3    8   12    9      0.026
   3    8   12    9      0.026