Keyword(s): Human Metabolites
Molecule Category Free-form
UNII C33G4RNT6F
EPA CompTox DTXSID6063519

Structure

InChI Key LVWSZGCVEZRFBT-UHFFFAOYSA-N
Smiles BrCCCCCCCBr
InChI
InChI=1S/C7H14Br2/c8-6-4-2-1-3-5-7-9/h1-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14Br2
Molecular Weight 255.95
AlogP 3.73
Number of Rotational Bond 6.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 4549-31-9
NORMAN SUSDAT
FDA SRS C33G4RNT6F
PubChem 78309
ChemSpider 70681.0