Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30227703

Structure

InChI Key RPQWXGVZELKOEU-UHFFFAOYSA-N
Smiles O=C(Cl)C1=CC=C(F)C(F)=C1
InChI
InChI=1/C7H3ClF2O/c8-7(11)4-1-2-5(9)6(10)3-4/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 76903-88-3
NORMAN SUSDAT
PubChem 2724519