Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 771291VTT8
EPA CompTox DTXSID60211034

Structure

InChI Key LZBOHNCMCCSTJX-UHFFFAOYSA-N
Smiles Cc1cccc(CCl)c1
InChI
InChI=1S/C8H9Cl/c1-7-3-2-4-8(5-7)6-9/h2-5H,6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H9Cl1
Molecular Weight 140.04
AlogP 2.73
Number of Rotational Bond 1.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 620-19-9
NORMAN SUSDAT
FDA SRS 771291VTT8
PubChem 12102
ChemSpider 21111851.0