Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9QW8CV4W9J
EPA CompTox DTXSID0061165

Structure

InChI Key RCHDLEVSZBOHOS-UHFFFAOYSA-N
Smiles ClCC#CCCl
InChI
InChI=1S/C4H4Cl2/c5-3-1-2-4-6/h3-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H4Cl2
Molecular Weight 121.97
AlogP 1.47
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 821-10-3
NORMAN SUSDAT
FDA SRS 9QW8CV4W9J
PubChem 13182
ChemSpider 12627.0