Keyword(s): Human Metabolites
Molecule Category Free-form
UNII R6TB7BW9H5
EPA CompTox DTXSID3061687

Structure

InChI Key HOLOJLLLDKVVJY-UHFFFAOYSA-N
Smiles ClCc1c(Cl)ccc(Cl)c1Cl
InChI
InChI=1S/C7H4Cl4/c8-3-4-5(9)1-2-6(10)7(4)11/h1-2H,3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4Cl4
Molecular Weight 227.91
AlogP 4.39
Number of Rotational Bond 1.0
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 1424-79-9
NORMAN SUSDAT
FDA SRS R6TB7BW9H5
PubChem 74022
ChemSpider 66643.0