Keyword(s): Human Metabolites
Molecule Category Free-form
UNII YME6XL2MS2
EPA CompTox DTXSID00178571

Structure

InChI Key AUZOUQPAAITHQE-UHFFFAOYSA-N
Smiles Cc1c(CCl)ccc(CCl)c1
InChI
InChI=1S/C9H10Cl2/c1-7-4-8(5-10)2-3-9(7)6-11/h2-4H,5-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10Cl2
Molecular Weight 188.02
AlogP 3.47
Number of Rotational Bond 2.0
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 2387-18-0
NORMAN SUSDAT
FDA SRS YME6XL2MS2
PubChem 75434
ChemSpider 67965.0