Keyword(s): Human Metabolites
Molecule Category Free-form
UNII JQ3DRB3J8L
EPA CompTox DTXSID60862262

Structure

InChI Key SDTXSEXYPROZSZ-UHFFFAOYSA-N
Smiles BrCC(Br)(C)C
InChI
InChI=1/C4H8Br2/c1-4(2,6)3-5/h3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8Br2
Molecular Weight 213.9
AlogP 2.55
Number of Rotational Bond 1.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 594-34-3
NORMAN SUSDAT
FDA SRS JQ3DRB3J8L
PubChem 222657