Keyword(s): Human Metabolites
Molecule Category Free-form
UNII QXH4Y96Y2L
EPA CompTox DTXSID2057786

Structure

InChI Key DDGRAFHHXYIQQR-UHFFFAOYSA-N
Smiles ClCc1cc(Cl)ccc1
InChI
InChI=1S/C7H6Cl2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6Cl2
Molecular Weight 159.98
AlogP 3.08
Number of Rotational Bond 1.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 620-20-2
NORMAN SUSDAT
FDA SRS QXH4Y96Y2L
PubChem 12103
ChemSpider 11606.0