Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 89KQ2DF6SJ
EPA CompTox DTXSID90192589

Structure

InChI Key YNQXOOPPJWSXMW-UHFFFAOYSA-N
Smiles FC=1C=CC=CC1C=C
InChI
InChI=1/C8H7F/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H7F
Molecular Weight 122.05
AlogP 2.47
Number of Rotational Bond 1.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 394-46-7
NORMAN SUSDAT
FDA SRS 89KQ2DF6SJ
PubChem 123056