Keyword(s): Human Metabolites
Molecule Category Free-form
UNII A581KL6ZPN
EPA CompTox DTXSID8038855

Structure

InChI Key MJGOLNNLNQQIHR-UHFFFAOYSA-N
Smiles Fc1cccc(Cl)c1CCl
InChI
InChI=1S/C7H5Cl2F/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5Cl2F1
Molecular Weight 177.98
AlogP 3.22
Number of Rotational Bond 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 55117-15-2
NORMAN SUSDAT
FDA SRS A581KL6ZPN
PubChem 108675
ChemSpider 97718.0