Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RR42FH7YWL
EPA CompTox DTXSID70191277

Structure

InChI Key JVHAJKHGPDDEEU-UHFFFAOYSA-N
Smiles FC=1C=CC(=C(F)C1)C=2C=CC=CC2
InChI
InChI=1/C12H8F2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/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 37847-52-2
NORMAN SUSDAT
FDA SRS RR42FH7YWL
PubChem 169974