Keyword(s): Human Metabolites
Molecule Category Free-form
UNII CQ3Q39MJ4G
EPA CompTox DTXSID50196563

Structure

InChI Key MFIOEEWGBMJNGG-UHFFFAOYSA-N
Smiles FC1=CC=C(C=C1)C(Cl)Cl
InChI
InChI=1/C7H5Cl2F/c8-7(9)5-1-3-6(10)4-2-5/h1-4,7H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5Cl2F
Molecular Weight 177.98
AlogP 3.3
Number of Rotational Bond 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 456-19-9
NORMAN SUSDAT
FDA SRS CQ3Q39MJ4G
PubChem 68005