Keyword(s): Human Metabolites
Molecule Category Free-form
UNII YQR3048IX9
EPA CompTox DTXSID1021902

Structure

InChI Key VEFLKXRACNJHOV-UHFFFAOYSA-N
Smiles BrCCCBr
InChI
InChI=1S/C3H6Br2/c4-2-1-3-5/h1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H6Br2
Molecular Weight 199.88
AlogP 2.17
Number of Rotational Bond 2.0
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 109-64-8
NORMAN SUSDAT
FDA SRS YQR3048IX9
PubChem 8001
ChemSpider 7710.0