Keyword(s): Human Metabolites
Molecule Category Free-form
UNII CHR4T8ZQS6
EPA CompTox DTXSID90186029

Structure

InChI Key KPZGRMZPZLOPBS-UHFFFAOYSA-N
Smiles ClCC(CCl)(CCl)CCl
InChI
InChI=1S/C5H8Cl4/c6-1-5(2-7,3-8)4-9/h1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H8Cl4
Molecular Weight 207.94
AlogP 2.93
Number of Rotational Bond 4.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 3228-99-7
NORMAN SUSDAT
FDA SRS CHR4T8ZQS6
PubChem 76700
ChemSpider 69160.0