Keyword(s): Human Metabolites
Molecule Category Free-form
UNII G49PHR6JFU
EPA CompTox DTXSID5044364

Structure

InChI Key ULTHEAFYOOPTTB-UHFFFAOYSA-N
Smiles BrCCCCBr
InChI
InChI=1S/C4H8Br2/c5-3-1-2-4-6/h1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8Br2
Molecular Weight 213.9
AlogP 2.56
Number of Rotational Bond 3.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 110-52-1
NORMAN SUSDAT
FDA SRS G49PHR6JFU
PubChem 8056
ChemSpider 7765.0