Keyword(s): Human Metabolites
Molecule Category Free-form
UNII E79E33RNF7
EPA CompTox DTXSID30181437

Structure

InChI Key SNMOMUYLFLGQQS-UHFFFAOYSA-N
Smiles BrCCCCCCC=C
InChI
InChI=1S/C8H15Br/c1-2-3-4-5-6-7-8-9/h2H,1,3-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H15Br1
Molecular Weight 190.04
AlogP 3.52
Number of Rotational Bond 6.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 2695-48-9
NORMAN SUSDAT
FDA SRS E79E33RNF7
PubChem 75907
ChemSpider 68412.0