Sign In Join Free

Products Information

2-Amino-5-fluoro-1,2,3,4-tetrahydro-naphthalen-1-ol 1HCl salt
2-Amino-5-fluoro-1,2,3,4-tetrahydro-naphthalen-1-ol 1HCl salt ID: B204017
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

Get a quote


SMILES:c12c(CCC(C1O)N)c(F)ccc2	
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    0.6000     0.0000 
   C   3    0.6011     1.0399     0.0000 
   C   4    1.0399     0.6011     1.2000     0.0000 
   C   5    1.0398     0.6010     1.5891     1.0417     0.0000 
   C   6    1.0375     1.1985     0.5974     1.0377     1.7995     0.0000 
   C   7    1.1985     1.0375     1.0377     0.5974     1.5869     0.6000 
   O   8    1.0399     1.5879     0.6000     1.8000     2.0797     1.0377 
   N   9    1.5870     1.7996     1.0375     1.5863     2.4006     0.6011 
   F  10    1.5878     1.0398     2.0797     1.2021     0.6000     2.1629 
   C  11    0.6010     1.0398     1.0417     1.5891     1.2000     1.5869 
   C  12    1.0416     1.2021     1.5910     1.8032     1.0398     2.0791 
   C  13    1.2021     1.0416     1.8032     1.5910     0.6010     2.1639 

              C   7      O   8      N   9      F  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    1.5865     0.0000 
   N   9    1.0399     1.1985     0.0000 
   F  10    1.7995     2.6163     2.7501     0.0000 
   C  11    1.7995     1.2021     2.0792     1.8000     0.0000 
   C  12    2.1639     1.8032     2.6173     1.5878     0.6010     0.0000 
   C  13    2.0791     2.1660     2.7514     1.0398     1.0398     0.6000 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   C   1    0.0073282739
   C   2    0.0037659450
   C   3    0.1914136189
   C   4    0.0299725844
   C   5    0.1359059376
   C   6    0.1266341404
   C   7    0.0267208507
   O   8   -0.2167427666
   N   9   -0.1298532349
   F  10   -0.2045145299
   C  11   -0.0019626833
   C  12    0.0020399114
   C  13    0.0292919522


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


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


CHIRAL ATOMS
  10    5   13   12    179.974
  10    5   13   12    179.974