Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 44IHE2M2T4
EPA CompTox DTXSID2058045

Structure

InChI Key NMWKWBPNKPGATC-UHFFFAOYSA-N
Smiles Clc1c2COC(=O)c2c(Cl)c(Cl)c1Cl
InChI
InChI=1S/C8H2Cl4O2/c9-4-2-1-14-8(13)3(2)5(10)7(12)6(4)11/h1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H2Cl4O2
Molecular Weight 269.88
AlogP 3.97
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.3
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 27355-22-2
NORMAN SUSDAT
FDA SRS 44IHE2M2T4
PubChem 33791
ChemSpider 31144.0