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2-Amino-5,7-difluoro-indan-1-ol 1HCl salt
2-Amino-5,7-difluoro-indan-1-ol 1HCl salt ID: B204005
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12c(CC(C2O)N)cc(cc1F)F	
FORMULA: C9H9F2NO
MASS: 185.1707
EXACT MASS: 185.0652204
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.5291     0.0000 
   C   3    0.5339     0.9204     0.0000 
   C   4    0.5309     0.8592     0.9718     0.0000 
   C   5    0.8590     0.8578     1.3858     0.5342     0.0000 
   C   6    0.8592     0.5309     1.3641     0.8625     0.5309     0.0000 
   C   7    0.9209     1.0621     0.5303     1.4347     1.7578     1.5858 
   C   8    0.9204     0.5339     1.0625     1.3641     1.3843     0.9718 
   C   9    1.0621     0.9209     0.9184     1.5858     1.7572     1.4347 
   F  10    0.9241     1.4073     0.5333     1.1556     1.6655     1.7809 
   N  11    1.3761     1.3753     1.8893     0.9504     0.5334     0.9486 
   O  12    0.9458     1.3727     1.1993     0.5297     0.9494     1.3763 
   F  13    1.5960     1.4089     1.4060     2.1187     2.2628     1.8901 

              C   7      C   8      C   9      F  10      N  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.9184     0.0000 
   C   9    0.5291     0.5303     0.0000 
   F  10    0.9220     1.5958     1.4059     0.0000 
   N  11    2.2865     1.8882     2.2860     2.1030     0.0000 
   O  12    1.7234     1.8510     1.9900     1.1365     1.1601     0.0000 
   F  13    0.9204     0.9209     0.5339     1.8425     2.7842     2.5207 

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



ATOMIC CHARGES
   C   1    0.0328603565
   C   2   -0.0177971245
   C   3    0.1404741760
   C   4    0.1938189025
   C   5    0.1306899248
   C   6    0.0482136478
   C   7    0.0589795479
   C   8    0.0253319698
   C   9    0.1420530944
   F  10   -0.2043583276
   N  11   -0.1295044439
   O  12   -0.2166546591
   F  13   -0.2041070647


BOND ANGLES
   2    1    3  Car  Car  Car    119.970
   2    1    4  Car  Car   C3    108.298
   3    1    4  Car  Car   C3    131.732
   1    2    6  Car  Car   C3    108.298
   1    2    8  Car  Car  Car    119.970
   6    2    8   C3  Car  Car    131.732
   1    3    7  Car  Car  Car    119.839
   1    3   10  Car  Car    F    119.970
   7    3   10  Car  Car    F    120.191
   1    4    5  Car   C3   C3    107.501
   1    4   12  Car   C3   O3    126.162
   5    4   12   C3   C3   O3    126.337
   4    5   11   C3   C3   N3    125.799
   4    5    6   C3   C3   C3    108.142
   6    5   11   C3   C3   N3    126.058
   2    6    5  Car   C3   C3    107.760
   3    7    9  Car  Car  Car    120.191
   2    8    9  Car  Car  Car    119.839
   7    9   13  Car  Car    F    119.970
   7    9    8  Car  Car  Car    120.191
   8    9   13  Car  Car    F    119.839


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


CHIRAL ATOMS
   2    8    9   13    179.974
   2    8    9   13    179.974