Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ES9U6BR88X
EPA CompTox DTXSID5063520

Structure

InChI Key DKEGCUDAFWNSSO-UHFFFAOYSA-N
Smiles BrCCCCCCCCBr
InChI
InChI=1S/C8H16Br2/c9-7-5-3-1-2-4-6-8-10/h1-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H16Br2
Molecular Weight 269.96
AlogP 4.12
Number of Rotational Bond 7.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 4549-32-0
NORMAN SUSDAT
FDA SRS ES9U6BR88X
PubChem 78310
ChemSpider 70682.0