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6-Amino-1,3-difluoro-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ol 1HCl salt
6-Amino-1,3-difluoro-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ol 1HCl salt ID: B204059
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12c(c(cc(c2)F)F)CCCC(C1O)N	
FORMULA: C11H13F2NO
MASS: 213.2238
EXACT MASS: 213.0965205
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.5334     0.0000 
   C   3    0.5310     0.9579     0.0000 
   C   4    0.9220     0.5302     1.4285     0.0000 
   C   5    1.0641     0.9208     1.5915     0.5338     0.0000 
   C   6    0.5302     0.9220     0.8772     1.0666     0.9241     0.0000 
   C   7    0.9208     1.0641     1.3774     0.9241     0.5334     0.5338 
   C   8    0.9572     1.1947     0.5296     1.7210     1.9985     1.3927 
   F   9    1.4060     0.9183     1.8750     0.5292     0.9204     1.5958 
   O  10    0.9014     1.4156     0.5338     1.8159     1.8450     0.9568 
   N  11    1.4143     1.7193     0.9014     2.2401     2.4772     1.7627 
   F  12    1.4047     1.5944     1.7970     1.4091     0.9220     0.9209 
   C  13    0.9579     0.5310     1.1916     0.8772     1.3774     1.4285 
   C  14    1.1947     0.9572     1.1927     1.3927     1.8662     1.7210 
   C  15    1.1968     1.1968     0.9579     1.7103     2.1045     1.7103 

              C   7      C   8      F   9      O  10      N  11      F  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.8662     0.0000 
   F   9    1.4074     2.0769     0.0000 
   O  10    1.4876     0.8986     2.3074     0.0000 
   N  11    2.2762     0.5336     2.6097     0.9916     0.0000 
   F  12    0.5303     2.3131     1.8425     1.7777     2.6706     0.0000 
   C  13    1.5915     1.1927     0.9917     1.7165     1.7168     2.1213 
   C  14    1.9985     0.9584     1.5089     1.7170     1.4148     2.5244 
   C  15    2.1045     0.5330     1.9415     1.4136     0.9014     2.6012 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    0.5296     0.0000 
   C  15    0.9579     0.5330     0.0000 



ATOMIC CHARGES
   C   1    0.0095598358
   C   2    0.0038626394
   C   3    0.1914730574
   C   4    0.1381460368
   C   5    0.0589004361
   C   6    0.0276797204
   C   7    0.1421282496
   C   8    0.1263100740
   F   9   -0.2044391147
   O  10   -0.2167419416
   N  11   -0.1298643327
   F  12   -0.2041060498
   C  13    0.0284414218
   C  14    0.0063226517
   C  15    0.0223273158


BOND ANGLES
   2    1    3  Car  Car   C3    128.301
   2    1    6  Car  Car  Car    120.187
   3    1    6   C3  Car  Car    111.512
   1    2    4  Car  Car  Car    120.187
   1    2   13  Car  Car   C3    128.301
   4    2   13  Car  Car   C3    111.512
   1    3    8  Car   C3   C3    128.980
   1    3   10  Car   C3   O3    115.673
   8    3   10   C3   C3   O3    115.347
   2    4    9  Car  Car    F    120.187
   2    4    5  Car  Car  Car    119.852
   5    4    9  Car  Car    F    119.961
   4    5    7  Car  Car  Car    119.961
   1    6    7  Car  Car  Car    119.852
   5    7    6  Car  Car  Car    119.961
   5    7   12  Car  Car    F    120.182
   6    7   12  Car  Car    F    119.858
   3    8   11   C3   C3   N3    115.951
   3    8   15   C3   C3   C3    128.688
  11    8   15   N3   C3   C3    115.361
   2   13   14  Car   C3   C3    128.980
  13   14   15   C3   C3   C3    128.688
   8   15   14   C3   C3   C3    128.062


TORSION ANGLES
   4    2    1    3    179.974
   4    2    1    6      0.026
  13    2    1    3      0.026
  13    2    1    6    179.974
   8    3    1    2      0.026
   8    3    1    6    179.974
  10    3    1    2    179.974
  10    3    1    6      0.026
   9    4    2    1    179.974
   9    4    2   13      0.026
   5    4    2    1      0.026
   5    4    2   13    179.974
   4    5    7    6      0.026
   4    5    7   12    179.974
   7    6    1    2      0.026
   7    6    1    3    179.974
   5    7    6    1      0.026
  12    7    6    1    179.974
  11    8    3    1    179.974
  11    8    3   10      0.026
  15    8    3    1      0.026
  15    8    3   10    179.974
  14   13    2    1      0.026
  14   13    2    4    179.974
  15   14   13    2      0.026
  14   15    8    3      0.026
  14   15    8   11    179.974
   8   15   14   13      0.026
   2    4    5    7      0.026
   9    4    5    7    179.974


CHIRAL ATOMS
   9    4    5    7    179.974
   9    4    5    7    179.974