Keyword(s): Human Metabolites
Molecule Category Free-form
UNII JY962FT2QY
EPA CompTox DTXSID7070927

Structure

InChI Key ZIQNZEFIQWBNHV-UHFFFAOYSA-N
Smiles CCC(CC)(CBr)CBr
InChI
InChI=1S/C7H14Br2/c1-3-7(4-2,5-8)6-9/h3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14Br2
Molecular Weight 255.95
AlogP 3.58
Number of Rotational Bond 4.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 67969-84-0
NORMAN SUSDAT
FDA SRS JY962FT2QY
PubChem 106258
ChemSpider 95701.0