Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Q6E4V3JJ8M
EPA CompTox DTXSID6061155

Structure

InChI Key BCOSEZGCLGPUSL-UHFFFAOYSA-N
Smiles ClC(=C(Cl)C(=O)Cl)Cl
InChI
InChI=1S/C3Cl4O/c4-1(2(5)6)3(7)8

Physicochemical Descriptors

Property Name Value
Molecular Formula C3Cl4O1
Molecular Weight 191.87
AlogP 2.64
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 815-58-7
NORMAN SUSDAT
FDA SRS Q6E4V3JJ8M
PubChem 13153
ChemSpider 12600.0