Keyword(s): Human Metabolites
Molecule Category Free-form
UNII H6FDY6Z9VM
EPA CompTox DTXSID4064210

Structure

InChI Key UYRPOMMBPQHVMN-UHFFFAOYSA-N
Smiles Cc1cc(CCl)c(C)cc1CCl
InChI
InChI=1S/C10H12Cl2/c1-7-3-10(6-12)8(2)4-9(7)5-11/h3-4H,5-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12Cl2
Molecular Weight 202.03
AlogP 3.78
Number of Rotational Bond 2.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 6298-72-2
NORMAN SUSDAT
FDA SRS H6FDY6Z9VM
PubChem 80530
ChemSpider 72729.0