Keyword(s): Human Metabolites
Molecule Category Free-form
UNII JN34ZXS9X7
EPA CompTox DTXSID10181596

Structure

InChI Key HJSSBIMVTMYKPD-UHFFFAOYSA-N
Smiles Oc1cc(F)cc(F)c1
InChI
InChI=1S/C6H4F2O/c7-4-1-5(8)3-6(9)2-4/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 2713-34-0
NORMAN SUSDAT
FDA SRS JN34ZXS9X7