Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2ZUT33QSQ2
EPA CompTox DTXSID40870724

Structure

InChI Key CNBFRBXEGGRSPL-UHFFFAOYSA-N
Smiles BrCCCC(Br)C
InChI
InChI=1/C5H10Br2/c1-5(7)3-2-4-6/h5H,2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10Br2
Molecular Weight 227.91
AlogP 2.94
Number of Rotational Bond 3.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 626-87-9
NORMAN SUSDAT
FDA SRS 2ZUT33QSQ2
PubChem 79082