Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RJ5LM3NG4W
EPA CompTox DTXSID70171978

Structure

InChI Key XMCSILBVFPYTLC-UHFFFAOYSA-N
Smiles CC(Cl)(CCl)CCl
InChI
InChI=1S/C4H7Cl3/c1-4(7,2-5)3-6/h2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7Cl3
Molecular Weight 159.96
AlogP 2.46
Number of Rotational Bond 2.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 1871-58-5
NORMAN SUSDAT
FDA SRS RJ5LM3NG4W
PubChem 74636
ChemSpider 67211.0