Marvin  06190709172D          

  7  7  0  0  0  0            999 V2000
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  6  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <ID>
CHEBI:5115

> <NAME>
monofluorobenzene

> <DEFINITION>
The simplest member of the class of  monofluorobenzenes that is benzene carrying a single fluoro substituent.

> <STAR>
3

> <SYNONYM>
phenyl fluoride; monofluorobenzene; Fluorobenzene; Fluorbenzol

> <IUPAC_NAME>
fluorobenzene

> <FORMULA>
C6H5F

> <MASS>
96.10230

> <MONOISOTOPIC_MASS>
96.03753

> <CHARGE>
0

> <SMILES>
Fc1ccccc1

> <INCHI>
InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H

> <INCHIKEY>
PYLWMHQQBFSUBP-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1236623

> <CAS_REGISTRY_NUMBER>
462-06-6

> <GMELIN_REGISTRY_NUMBER>
49856

> <REAXYS_REGISTRY_NUMBER>
1236623

> <CHEMIDPLUS>
462-06-6

> <KEGG_COMPOUND_ACCESSION>
C11272

> <NIST_CHEMISTRY_WEBBOOK>
462-06-6

> <WIKIPEDIA_ACCESSION>
Fluorobenzene

> <PUBMED_CITATION>
22976426; 24060903

$$$$