Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9SN86T76Y6
EPA CompTox DTXSID9034070

Structure

InChI Key PVFOMCVHYWHZJE-UHFFFAOYSA-N
Smiles ClC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C2Cl4O/c3-1(7)2(4,5)6

Physicochemical Descriptors

Property Name Value
Molecular Formula C2Cl4O1
Molecular Weight 179.87
AlogP 2.12
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 76-02-8
NORMAN SUSDAT
FDA SRS 9SN86T76Y6
PubChem 6420
ChemSpider 6180.0