Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 77DL5FRC0Z
EPA CompTox DTXSID30222778

Structure

InChI Key JSWRVDNTKPAJLB-UHFFFAOYSA-N
Smiles O=C(Cl)C1=CC=C(F)C=C1F
InChI
InChI=1/C7H3ClF2O/c8-7(11)5-2-1-4(9)3-6(5)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 72482-64-5
NORMAN SUSDAT
FDA SRS 77DL5FRC0Z
PubChem 588081