Keyword(s): Human Metabolites
Molecule Category Free-form
UNII UD298X7PWF
EPA CompTox DTXSID60240869

Structure

InChI Key AZEYOLLKUUMOHW-UHFFFAOYSA-N
Smiles BrC(Br)(Br)C(=O)OCCOC(=O)C(Br)(Br)Br
InChI
InChI=1S/C6H4Br6O4/c7-5(8,9)3(13)15-1-2-16-4(14)6(10,11)12/h1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H4Br6O4
Molecular Weight 613.52
AlogP 3.75
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 52.6
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 94159-39-4
NORMAN SUSDAT
FDA SRS UD298X7PWF
PubChem 44146865
ChemSpider 21166992.0