Keyword(s): Human Metabolites
Molecule Category Free-form
UNII O43MMI49GE
EPA CompTox DTXSID9062300

Structure

InChI Key LRXWJPURTZCTEH-UHFFFAOYSA-N
Smiles ClC(Cl)C(=O)c1c(Cl)cc(Cl)cc1
InChI
InChI=1S/C8H4Cl4O/c9-4-1-2-5(6(10)3-4)7(13)8(11)12/h1-3,8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H4Cl4O1
Molecular Weight 255.9
AlogP 3.98
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 2274-66-0
NORMAN SUSDAT
FDA SRS O43MMI49GE
PubChem 75284
ChemSpider 67826.0