Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6TX7ZP9YWU
EPA CompTox DTXSID0062559

Structure

InChI Key FHBSIIZALGOVLM-UHFFFAOYSA-N
Smiles CC(C)c1ccc(Cl)cc1
InChI
InChI=1S/C9H11Cl/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H11Cl1
Molecular Weight 154.05
AlogP 3.46
Number of Rotational Bond 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 2621-46-7
NORMAN SUSDAT
FDA SRS 6TX7ZP9YWU
PubChem 17493
ChemSpider 16541.0