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3-fluoro-2-hydroxybenzaldehyde
3-fluoro-2-hydroxybenzaldehyde
ID: Cs00264
CAS:394-50-3
Supplier:Clousem

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SMILES:c1ccc(c(c1F)O)C=O	
FORMULA: C7H5FO2
MASS: 140.1118
EXACT MASS: 140.0273576
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 
   O  10    5.4912     5.2758     4.0295     2.6379     3.0460     4.5690 

              F   7      O   8      C   9      O  10
              --------------------------------------------
   F   7    0.0000 
   O   8    3.0461     0.0000 
   C   9    5.2760     3.0460     0.0000 
   O  10    5.4913     2.6379     1.5230     0.0000 



ATOMIC CHARGES
   C   1    0.0329540374
   C   2    0.0026173213
   C   3    0.0066459721
   C   4    0.0833702545
   C   5    0.2259769943
   C   6    0.1788917351
   F   7   -0.2007916791
   O   8   -0.2840542907
   C   9    0.2374224769
   O  10   -0.2830328218


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   C2    120.002
   5    4    9  Car  Car   C2    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
   4    9   10  Car   C2   O2    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