Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FGB8O5N903
EPA CompTox DTXSID60870403

Structure

InChI Key XFNJYAKDBJUJAJ-UHFFFAOYSA-N
Smiles BrCC(Br)C
InChI
InChI=1/C3H6Br2/c1-3(5)2-4/h3H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H6Br2
Molecular Weight 199.88
AlogP 2.16
Number of Rotational Bond 1.0
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 78-75-1
NORMAN SUSDAT
FDA SRS FGB8O5N903
PubChem 6553