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2-fluoro-3-hydroxybenzonitrile
2-fluoro-3-hydroxybenzonitrile
ID: Cs00299
CAS:1000339-24-1
Supplier:Clousem

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SMILES:c1ccc(c(c1O)F)C#N	
FORMULA: C7H4FNO
MASS: 137.1112
EXACT MASS: 137.0276920
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 
   O   7    2.6379     4.0295     4.5690     4.0295     2.6379     1.5230 
   F   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 
   N  10    5.4912     5.2758     4.0295     2.6379     3.0460     4.5690 

              O   7      F   8      C   9      N  10
              --------------------------------------------
   O   7    0.0000 
   F   8    3.0461     0.0000 
   C   9    5.2759     3.0460     0.0000 
   N  10    5.4913     2.6379     1.5230     0.0000 



ATOMIC CHARGES
   C   1    0.0444354191
   C   2    0.0041196165
   C   3    0.0127613769
   C   4    0.0990182810
   C   5    0.1882857613
   C   6    0.2235608372
   O   7   -0.2841410368
   F   8   -0.2000772116
   C   9    0.1027942584
   N  10   -0.1907573020


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   C1    120.002
   5    4    9  Car  Car   C1    119.999
   4    5    6  Car  Car  Car    119.999
   4    5    8  Car  Car    F    119.999
   6    5    8  Car  Car    F    120.002
   1    6    5  Car  Car  Car    120.000
   5    6    7  Car  Car   O3    119.999
   1    6    7  Car  Car   O3    120.001
   4    9   10  Car   C1   N1    120.000


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
   3    4    9   10    179.974
   5    4    9   10      0.026