Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4KL9ZU62L4
EPA CompTox DTXSID40188533

Structure

InChI Key ZJSKEGAHBAHFON-UHFFFAOYSA-N
Smiles FC1=CC=CC(C=C)=C1
InChI
InChI=1/C8H7F/c1-2-7-4-3-5-8(9)6-7/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 350-51-6
NORMAN SUSDAT
FDA SRS 4KL9ZU62L4
PubChem 67691