Keyword(s): Human Metabolites
Molecule Category Free-form
UNII NXL6EU26UL
EPA CompTox DTXSID7073141

Structure

InChI Key YJCVRMIJBXTMNR-UHFFFAOYSA-N
Smiles Clc1cccc(Cl)c1C=C
InChI
InChI=1S/C8H6Cl2/c1-2-6-7(9)4-3-5-8(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 28469-92-3
NORMAN SUSDAT
FDA SRS NXL6EU26UL
PubChem 34254
ChemSpider 31561.0