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2-amino-6-fluoro-3-methoxybenzenethiol
2-amino-6-fluoro-3-methoxybenzenethiol
ID: BP-11873
Supplier:BroadPharm

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SMILES:c1(c(c(ccc1F)OC)N)S	
FORMULA: C7H8FNOS
MASS: 173.2079
EXACT MASS: 173.0310631
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      S   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6000     0.0000 
   C   3    0.5975     1.0378     0.0000 
   C   4    1.0378     0.5975     1.2000     0.0000 
   S   5    0.5989     1.0362     1.0375     1.5831     0.0000 
   N   6    1.0398     0.6010     1.5863     1.0375     1.1958     0.0000 
   C   7    1.0375     1.1985     0.6010     1.0398     1.5861     1.7995 
   C   8    1.1985     1.0375     1.0398     0.6010     1.7974     1.5869 
   F   9    1.0341     1.5825     0.5958     1.7958     1.1985     2.0740 
   O  10    1.5865     1.0378     1.8000     0.6000     2.0740     1.1985 
   C  11    1.8000     1.2000     2.1626     1.0378     2.1595     1.0398 

              C   7      C   8      F   9      O  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    0.6000     0.0000 
   F   9    1.0362     1.5839     0.0000 
   O  10    1.5878     1.0398     2.3958     0.0000 
   C  11    2.0776     1.5863     2.7449     0.5975     0.0000 



ATOMIC CHARGES
   C   1    0.0827677206
   C   2    0.1314556040
   C   3    0.1480310731
   C   4    0.1559600593
   S   5   -0.0468690283
   N   6   -0.1242623084
   C   7    0.0333713680
   C   8    0.0406397092
   F   9   -0.2035810752
   O  10   -0.4700459649
   C  11    0.2525328424


BOND ANGLES
   2    1    3  Car  Car  Car    120.140
   2    1    5  Car  Car   S3    119.595
   3    1    5  Car  Car   S3    120.265
   1    2    4  Car  Car  Car    120.140
   1    2    6  Car  Car  Npl    119.944
   4    2    6  Car  Car  Npl    119.917
   1    3    7  Car  Car  Car    119.917
   1    3    9  Car  Car    F    120.140
   7    3    9  Car  Car    F    119.944
   2    4    8  Car  Car  Car    119.917
   2    4   10  Car  Car   O3    120.140
   8    4   10  Car  Car   O3    119.944
   3    7    8  Car  Car  Car    119.944
   4    8    7  Car  Car  Car    119.944
   4   10   11  Car   O3   C3    120.140


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