Keyword(s): Human Metabolites
Molecule Category Free-form
UNII JR3CX6JE5U
EPA CompTox DTXSID20192714

Structure

InChI Key GAYJHUJLHJWCTH-UHFFFAOYSA-N
Smiles FC=1C=CC=C(C1)C=2C=CC=C(F)C2
InChI
InChI=1/C12H8F2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H8F2
Molecular Weight 190.06
AlogP 3.63
Number of Rotational Bond 1.0
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 396-64-5
NORMAN SUSDAT
FDA SRS JR3CX6JE5U
PubChem 123058