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2-Amino-5-fluoro-indan-1-ol 1HCl salt
2-Amino-5-fluoro-indan-1-ol 1HCl salt ID: B204007
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12c(C(C(C1)N)O)ccc(c2)F	
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    0.5292     0.0000 
   C   3    0.8594     0.5310     0.0000 
   C   4    0.8578     0.8591     0.5343     0.0000 
   C   5    0.5310     0.8593     0.8625     0.5308     0.0000 
   C   6    0.9205     0.5339     0.9719     1.3860     1.3642     0.0000 
   C   7    0.5338     0.9204     1.3642     1.3843     0.9719     1.0625 
   N   8    1.3713     1.3721     0.9467     0.5292     0.9448     1.8854 
   C   9    0.9208     1.0620     1.5858     1.7572     1.4347     0.9184 
   O  10    1.3728     0.9458     0.5296     0.9494     1.3762     1.1993 
   C  11    1.0620     0.9208     1.4347     1.7578     1.5858     0.5303 
   F  12    1.4088     1.5959     2.1187     2.2627     1.8901     1.4060 

              C   7      N   8      C   9      O  10      C  11      F  12
              ------------------------------------------------------------------
   C   7    0.0000 
   N   8    1.8842     0.0000 
   C   9    0.5302     2.2818     0.0000 
   O  10    1.8509     1.1577     1.9900     0.0000 
   C  11    0.9183     2.2823     0.5292     1.7234     0.0000 
   F  12    0.9208     2.7800     0.5338     2.5206     0.9204     0.0000 




ATOMIC CHARGES
   C   1   -0.0199603405
   C   2    0.0053801209
   C   3    0.1916728425
   C   4    0.1306133780
   C   5    0.0481406801
   C   6    0.0002004306
   C   7    0.0251872174
   N   8   -0.1295054838
   C   9    0.1398129110
   O  10   -0.2167320475
   C  11    0.0293728486
   F  12   -0.2041825572


BOND ANGLES
   2    1    5  Car  Car   C3    108.285
   2    1    7  Car  Car  Car    119.961
   5    1    7   C3  Car  Car    131.755
   1    2    3  Car  Car   C3    108.295
   1    2    6  Car  Car  Car    119.970
   3    2    6   C3  Car  Car    131.735
   2    3   10  Car   C3   O3    126.162
   2    3    4  Car   C3   C3    107.498
   4    3   10   C3   C3   O3    126.340
   5    4    8   C3   C3   N3    126.065
   3    4    5   C3   C3   C3    108.142
   3    4    8   C3   C3   N3    125.793
   1    5    4  Car   C3   C3    107.780
   2    6   11  Car  Car  Car    119.834
   1    7    9  Car  Car  Car    119.852
   7    9   12  Car  Car    F    119.852
   7    9   11  Car  Car  Car    120.187
  11    9   12  Car  Car    F    119.961
   6   11    9  Car  Car  Car    120.197


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


CHIRAL ATOMS
  12    9   11    6    179.974
  12    9   11    6    179.974