Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90170988

Structure

InChI Key QRHUZEVERIHEPT-UHFFFAOYSA-N
Smiles O=C(Cl)C=1C(F)=CC=CC1F
InChI
InChI=1/C7H3ClF2O/c8-7(11)6-4(9)2-1-3-5(6)10/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H3ClF2O
Molecular Weight 175.98
AlogP 2.34
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 18063-02-0
NORMAN SUSDAT
PubChem 87438