Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 53EYY8S7LA
EPA CompTox DTXSID90181594

Structure

InChI Key INXKVYFOWNAVMU-UHFFFAOYSA-N
Smiles Oc1cc(F)ccc1F
InChI
InChI=1S/C6H4F2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H4F2O1
Molecular Weight 130.02
AlogP 1.67
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 2713-31-7
NORMAN SUSDAT
FDA SRS 53EYY8S7LA