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3-ethyl-2-fluorophenol
3-ethyl-2-fluorophenol
ID: Cs00244
CAS:1243456-02-1
Supplier:Clousem

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SMILES:c1(cccc(c1F)O)CC	
FORMULA: C8H9FO
MASS: 140.1549
EXACT MASS: 140.0637431
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     2.6379 
   C   9    1.5230     2.6379     4.0295     4.5690     4.0295     2.6380 
   C  10    2.6379     3.0460     4.5690     5.4912     5.2758     4.0295 

              F   7      O   8      C   9      C  10
              --------------------------------------------
   F   7    0.0000 
   O   8    3.0460     0.0000 
   C   9    3.0461     5.2759     0.0000 
   C  10    4.5691     6.6386     1.5230     0.0000 



ATOMIC CHARGES
   C   1    0.0084746208
   C   2   -0.0018417167
   C   3    0.0031064544
   C   4    0.0443719562
   C   5    0.2225641939
   C   6    0.1747780584
   F   7   -0.2011295282
   O   8   -0.2841744935
   C   9    0.0287515572
   C  10    0.0050988974


BOND ANGLES
   2    1    6  Car  Car  Car    119.999
   2    1    9  Car  Car   C3    119.999
   6    1    9  Car  Car   C3    120.002
   1    2    3  Car  Car  Car    119.999
   2    3    4  Car  Car  Car    120.000
   3    4    5  Car  Car  Car    120.001
   4    5    6  Car  Car  Car    120.001
   4    5    8  Car  Car   O3    119.999
   6    5    8  Car  Car   O3    120.000
   1    6    5  Car  Car  Car    120.000
   5    6    7  Car  Car    F    120.001
   1    6    7  Car  Car    F    119.999
   1    9   10  Car   C3   C3    120.000


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