Keyword(s): Human Metabolites
Molecule Category Free-form
UNII DE4B2T9P43
EPA CompTox DTXSID30147472

Structure

InChI Key IIVVWOUHWDRSBE-UHFFFAOYSA-N
Smiles CC(C)(Cl)CBr
InChI
InChI=1S/C4H8BrCl/c1-4(2,6)3-5/h3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8Br1Cl1
Molecular Weight 169.95
AlogP 2.4
Number of Rotational Bond 1.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 10601-61-3
NORMAN SUSDAT
FDA SRS DE4B2T9P43
PubChem 82760
ChemSpider 74649.0