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6-Amino-3-fluoro-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ol 1HCl salt
6-Amino-3-fluoro-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ol 1HCl salt ID: B204052
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12C(C(N)CCCc1ccc(c2)F)O	
FORMULA: C11H14FNO
MASS: 195.2334
EXACT MASS: 195.1059423
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.5336     0.0000 
   C   3    0.5292     0.9579     0.0000 
   C   4    0.5303     0.8775     0.9184     0.0000 
   C   5    0.9582     0.5297     1.1948     1.3926     0.0000 
   C   6    0.9183     1.4285     0.5302     1.0625     1.7210     0.0000 
   C   7    0.9208     1.3784     1.0620     0.5339     1.8668     0.9204 
   O   8    0.9000     0.5306     1.4106     0.9534     0.8986     1.8104 
   N   9    1.4144     0.9000     1.7165     1.7627     0.5303     2.2375 
   C  10    1.0620     1.5915     0.9208     0.9205     1.9986     0.5338 
   F  11    1.4047     1.7970     1.5923     0.9208     2.3130     1.4060 
   C  12    1.1922     1.1927     0.9573     1.7186     0.9584     1.3928 
   C  13    0.9579     1.1958     0.5336     1.4285     1.1965     0.8775 
   C  14    1.1959     0.9579     1.1968     1.7090     0.5330     1.7103 

              C   7      O   8      N   9      C  10      F  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    1.4842     0.0000 
   N   9    2.2762     0.9956     0.0000 
   C  10    0.5292     1.8392     2.4753     0.0000 
   F  11    0.5303     1.7737     2.6705     0.9184     0.0000 
   C  12    1.9970     1.7146     1.4108     1.8663     2.5228     0.0000 
   C  13    1.5915     1.7168     1.7169     1.3784     2.1213     0.5306 
   C  14    2.1039     1.4128     0.8973     2.1045     2.6002     0.5330 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    0.9605     0.0000 



ATOMIC CHARGES
   C   1    0.0074135605
   C   2    0.1914041872
   C   3   -0.0235995127
   C   4    0.0275348759
   C   5    0.1263091134
   C   6   -0.0021956363
   C   7    0.1398881211
   O   8   -0.2167429055
   N   9   -0.1298643368
   C  10    0.0292966346
   F  11   -0.2041815426
   C  12    0.0062479611
   C  13    0.0261631199
   C  14    0.0223263602


BOND ANGLES
   2    1    3   C3  Car  Car    128.655
   2    1    4   C3  Car  Car    111.149
   3    1    4  Car  Car  Car    120.197
   1    2    5  Car   C3   C3    128.629
   1    2    8  Car   C3   O3    115.496
   5    2    8   C3   C3   O3    115.875
   1    3    6  Car  Car  Car    120.187
   1    3   13  Car  Car   C3    128.655
   6    3   13  Car  Car   C3    111.158
   1    4    7  Car  Car  Car    119.834
   2    5    9   C3   C3   N3    116.222
   2    5   14   C3   C3   C3    128.676
   9    5   14   N3   C3   C3    115.103
   3    6   10  Car  Car  Car    119.852
   4    7   10  Car  Car  Car    119.970
   4    7   11  Car  Car    F    119.834
  10    7   11  Car  Car    F    120.197
   6   10    7  Car  Car  Car    119.961
  13   12   14   C3   C3   C3    129.118
   3   13   12  Car   C3   C3    128.186
   5   14   12   C3   C3   C3    128.081


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


CHIRAL ATOMS
   3    6   10    7      0.026
   3    6   10    7      0.026