Keyword(s): Human Metabolites
Molecule Category Free-form
UNII N4276PQ8UN
EPA CompTox DTXSID801350315

Structure

InChI Key IUXHPSPHPKXTPA-UHFFFAOYSA-N
Smiles CC/C=C/Br
InChI
InChI=1S/C4H7Br/c1-2-3-4-5/h3-4H,2H2,1H3/b4-3+

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7Br1
Molecular Weight 133.97
AlogP 2.31
Number of Rotational Bond 1.0
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 32620-08-9
NORMAN SUSDAT
FDA SRS N4276PQ8UN
PubChem 35945
ChemSpider 4516556.0