Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KC5QPN9FLC
EPA CompTox DTXSID5064205

Structure

InChI Key JTYUIAOHIYZBPB-UHFFFAOYSA-N
Smiles ClCCCCCCBr
InChI
InChI=1S/C6H12BrCl/c7-5-3-1-2-4-6-8/h1-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12Br1Cl1
Molecular Weight 197.98
AlogP 3.18
Number of Rotational Bond 5.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 6294-17-3
NORMAN SUSDAT
FDA SRS KC5QPN9FLC
PubChem 80516
ChemSpider 72715.0