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4-FLUORO-2-METHYLPHENOL
4-FLUORO-2-METHYLPHENOL
ID: BP-12004
CAS:452-72-2
Supplier:BroadPharm

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SMILES:c1(c(ccc(c1)F)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    1.4321     0.0000 
   C   3    1.4292     2.4807     0.0000 
   C   4    2.4875     1.4429     2.8688     0.0000 
   C   5    2.4807     2.8708     1.4321     2.4870     0.0000 
   C   6    2.8688     2.4870     2.4875     1.4292     1.4429     0.0000 
   F   7    3.7831     4.2958     2.4771     3.7872     1.4250     2.4833 
   O   8    2.4771     1.4250     3.7831     2.4833     4.2958     3.7872 
   C   9    1.4393     2.4833     2.4849     3.8022     3.7958     4.3081 

              F   7      O   8      C   9
              ---------------------------------
   F   7    0.0000 
   O   8    5.7208     0.0000 
   C   9    4.9619     2.8631     0.0000 



ATOMIC CHARGES
   C   1    0.0193007563
   C   2    0.1918636524
   C   3    0.0285398666
   C   4    0.0439990124
   C   5    0.1400327785
   C   6    0.0328969795
   F   7   -0.2041796369
   O   8   -0.2869069060
   C   9    0.0344534972


BOND ANGLES
   2    1    3  Car  Car  Car    120.219
   2    1    9  Car  Car   C3    119.728
   3    1    9  Car  Car   C3    120.053
   1    2    4  Car  Car  Car    119.811
   1    2    8  Car  Car   O3    120.219
   4    2    8  Car  Car   O3    119.969
   1    3    5  Car  Car  Car    120.219
   2    4    6  Car  Car  Car    119.969
   3    5    6  Car  Car  Car    119.811
   3    5    7  Car  Car    F    120.219
   6    5    7  Car  Car    F    119.969
   4    6    5  Car  Car  Car    119.969


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