Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6GZ7QG7MD4
EPA CompTox DTXSID80174839

Structure

InChI Key DQZUIRYHGMGWFY-UHFFFAOYSA-N
Smiles CC(C)c1cc(Cl)c(Cl)cc1
InChI
InChI=1S/C9H10Cl2/c1-6(2)7-3-4-8(10)9(11)5-7/h3-6H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10Cl2
Molecular Weight 188.02
AlogP 4.12
Number of Rotational Bond 1.0
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 2077-14-7
NORMAN SUSDAT
FDA SRS 6GZ7QG7MD4
PubChem 74954
ChemSpider 67511.0