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2-Amino-6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-1-ol 1HCl salt
2-Amino-6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-1-ol 1HCl salt ID: B204025
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12c(cc(cc1CCC(C2O)N)F)F	
FORMULA: C10H11F2NO
MASS: 199.1972
EXACT MASS: 199.0808704
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.5303     0.0000 
   C   3    0.5291     0.9183     0.0000 
   C   4    0.5339     0.9208     0.9204     0.0000 
   C   5    0.9208     0.5339     1.0620     1.4088     0.0000 
   C   6    0.9183     1.0625     0.5303     1.4060     0.9204     0.0000 
   C   7    1.0620     0.9204     0.9208     1.5959     0.5291     0.5339 
   C   8    0.9204     1.4060     0.5339     1.0625     1.5959     0.9208 
   C   9    0.9208     1.4047     1.0620     0.5303     1.8416     1.5922 
   C  10    1.0620     1.5922     0.9208     0.9183     1.9161     1.4047 
   F  11    0.9184     0.5292     1.4020     1.0620     0.9205     1.5917 
   O  12    0.9241     1.0641     1.4073     0.5333     1.5980     1.8424 
   N  13    1.4088     1.8416     1.5959     0.9208     2.3195     2.1261 
   F  14    1.5923     1.4060     1.4047     2.1262     0.9184     0.9209 

              C   7      C   8      C   9      C  10      F  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.4088     0.0000 
   C   9    1.9161     0.9183     0.0000 
   C  10    1.8416     0.5303     0.5291     0.0000 
   F  11    1.4034     1.8389     1.5923     1.9125     0.0000 
   O  12    1.9183     1.5958     0.9220     1.4059     0.9208     0.0000 
   N  13    2.4377     1.4060     0.5339     0.9204     1.9161     1.0641 
   F  14    0.5303     1.8417     2.4338     2.3154     1.8389     2.4369 

              N  13      F  14
              ----------------------
   N  13    0.0000 
   F  14    2.9598     0.0000 



ATOMIC CHARGES
   C   1    0.0328033090
   C   2    0.1404734573
   C   3   -0.0192989501
   C   4    0.1934926116
   C   5    0.0589795425
   C   6    0.0252854412
   C   7    0.1420525165
   C   8    0.0278391251
   C   9    0.1267078550
   C  10    0.0266490386
   F  11   -0.2043583306
   O  12   -0.2166663403
   N  13   -0.1298522088
   F  14   -0.2041070671


BOND ANGLES
   2    1    3  Car  Car  Car    120.197
   2    1    4  Car  Car   C3    119.834
   3    1    4  Car  Car   C3    119.970
   1    2    5  Car  Car  Car    119.834
   1    2   11  Car  Car    F    120.197
   5    2   11  Car  Car    F    119.970
   1    3    6  Car  Car  Car    120.197
   1    3    8  Car  Car   C3    119.970
   6    3    8  Car  Car   C3    119.834
   1    4    9  Car   C3   C3    119.834
   1    4   12  Car   C3   O3    119.970
   9    4   12   C3   C3   O3    120.197
   2    5    7  Car  Car  Car    119.970
   3    6    7  Car  Car  Car    119.834
   5    7   14  Car  Car    F    120.191
   5    7    6  Car  Car  Car    119.970
   6    7   14  Car  Car    F    119.839
   3    8   10  Car   C3   C3    119.834
   4    9   10   C3   C3   C3    120.197
   4    9   13   C3   C3   N3    119.834
  10    9   13   C3   C3   N3    119.970
   8   10    9   C3   C3   C3    120.197


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


CHIRAL ATOMS
   3    6    7   14    179.974
   3    6    7   14    179.974