Keyword(s): Human Metabolites
Molecule Category Free-form
UNII CZM50594QA
EPA CompTox DTXSID7059353

Structure

InChI Key YXZFFTJAHVMMLF-UHFFFAOYSA-N
Smiles CC(C)CCBr
InChI
InChI=1S/C5H11Br/c1-5(2)3-4-6/h5H,3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11Br1
Molecular Weight 150.0
AlogP 2.43
Number of Rotational Bond 2.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 107-82-4
NORMAN SUSDAT
FDA SRS CZM50594QA
PubChem 7891
ChemSpider 7603.0