Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5V3UJL5WPR
EPA CompTox DTXSID20229695

Structure

InChI Key GFNAJZAKJGKJCS-UHFFFAOYSA-N
Smiles O=C(Cl)C=1C(F)=CC=CC1Cl
InChI
InChI=1/C7H3Cl2FO/c8-4-2-1-3-5(10)6(4)7(9)11/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H3Cl2FO
Molecular Weight 191.95
AlogP 2.86
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 79455-63-3
NORMAN SUSDAT
FDA SRS 5V3UJL5WPR
PubChem 2736547