Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8QXD22MI5L
EPA CompTox DTXSID60149984

Structure

InChI Key IZMZREOTRMMCCB-UHFFFAOYSA-N
Smiles Clc1cc(C=C)c(Cl)cc1
InChI
InChI=1S/C8H6Cl2/c1-2-6-5-7(9)3-4-8(6)10/h2-5H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H6Cl2
Molecular Weight 171.98
AlogP 3.64
Number of Rotational Bond 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1123-84-8
NORMAN SUSDAT
FDA SRS 8QXD22MI5L
PubChem 14294
ChemSpider 13656.0