Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2E08SP4D3P
EPA CompTox DTXSID6040298

Structure

InChI Key LAXBNTIAOJWAOP-UHFFFAOYSA-N
Smiles Clc1ccccc1-c1ccccc1
InChI
InChI=1S/C12H9Cl/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H9Cl1
Molecular Weight 188.04
AlogP 4.01
Number of Rotational Bond 1.0
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 2051-60-7
NORMAN SUSDAT
FDA SRS 2E08SP4D3P
PubChem 249266
ChemSpider 218253.0