Keyword(s): Human Metabolites
Molecule Category Free-form
UNII D8ZPP7X54B
EPA CompTox DTXSID40220785

Structure

InChI Key AEILLAXRDHDKDY-UHFFFAOYSA-N
Smiles BrCC1CC1
InChI
InChI=1S/C4H7Br/c5-3-4-1-2-4/h4H,1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7Br1
Molecular Weight 133.97
AlogP 1.79
Number of Rotational Bond 1.0
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 7051-34-5
NORMAN SUSDAT
FDA SRS D8ZPP7X54B
PubChem 81503
ChemSpider 62181.0