Keyword(s): Human Metabolites
Molecule Category Free-form
UNII XMM44Z9B62
EPA CompTox DTXSID30179753

Structure

InChI Key MPCHQYWZAVTABQ-UHFFFAOYSA-N
Smiles ClCc1cc2ccccc2cc1
InChI
InChI=1S/C11H9Cl/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H9Cl1
Molecular Weight 176.04
AlogP 3.58
Number of Rotational Bond 1.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 2506-41-4
NORMAN SUSDAT
FDA SRS XMM44Z9B62
PubChem 75632
ChemSpider 68154.0