Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RG9SR6EV5J
EPA CompTox DTXSID30211248

Structure

InChI Key GPOFSFLJOIAMSA-UHFFFAOYSA-N
Smiles CCc1ccc(Cl)cc1
InChI
InChI=1S/C8H9Cl/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H9Cl1
Molecular Weight 140.04
AlogP 2.9
Number of Rotational Bond 1.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 622-98-0
NORMAN SUSDAT
FDA SRS RG9SR6EV5J
PubChem 69330
ChemSpider 62538.0