Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 95E08D17M7
EPA CompTox DTXSID4060153

Structure

InChI Key QTBFPMKWQKYFLR-UHFFFAOYSA-N
Smiles CC(C)CCl
InChI
InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H9Cl1
Molecular Weight 92.04
AlogP 1.88
Number of Rotational Bond 1.0
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 513-36-0
NORMAN SUSDAT
FDA SRS 95E08D17M7
PubChem 10554
ChemSpider 5444.0