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Products Information

2-fluoro-6-methylphenol
2-fluoro-6-methylphenol
ID: Cs00265
CAS:443-90-3
Supplier:Clousem

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SMILES:c1ccc(c(c1F)O)C	
FORMULA: C7H7FO
MASS: 126.1283
EXACT MASS: 126.0480931
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5230     0.0000 
   C   3    2.6379     1.5230     0.0000 
   C   4    3.0460     2.6379     1.5230     0.0000 
   C   5    2.6379     3.0460     2.6379     1.5230     0.0000 
   C   6    1.5230     2.6379     3.0460     2.6379     1.5230     0.0000 
   F   7    2.6380     4.0296     4.5691     4.0296     2.6380     1.5231 
   O   8    4.0295     4.5690     4.0295     2.6379     1.5230     2.6380 
   C   9    4.5690     4.0295     2.6380     1.5230     2.6379     4.0295 

              F   7      O   8      C   9
              ---------------------------------
   F   7    0.0000 
   O   8    3.0461     0.0000 
   C   9    5.2760     3.0460     0.0000 



ATOMIC CHARGES
   C   1    0.0329302558
   C   2    0.0021900550
   C   3   -0.0009521914
   C   4    0.0193586435
   C   5    0.2188624377
   C   6    0.1784618906
   F   7   -0.2008042375
   O   8   -0.2845040734
   C   9    0.0344572196


BOND ANGLES
   2    1    6  Car  Car  Car    120.001
   1    2    3  Car  Car  Car    120.001
   2    3    4  Car  Car  Car    120.000
   3    4    5  Car  Car  Car    119.999
   3    4    9  Car  Car   C3    120.002
   5    4    9  Car  Car   C3    119.999
   4    5    6  Car  Car  Car    119.999
   4    5    8  Car  Car   O3    119.999
   6    5    8  Car  Car   O3    120.002
   1    6    5  Car  Car  Car    120.000
   5    6    7  Car  Car    F    119.999
   1    6    7  Car  Car    F    120.001


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