Keyword(s): Human Metabolites
Molecule Category Free-form
UNII K51199TJ7S
EPA CompTox DTXSID90880631

Structure

InChI Key FTJHYGJLHCGQHQ-UHFFFAOYSA-N
Smiles BrC(C)CCCCCC
InChI
InChI=1/C8H17Br/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H17Br
Molecular Weight 192.05
AlogP 3.74
Number of Rotational Bond 5.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 557-35-7
NORMAN SUSDAT
FDA SRS K51199TJ7S
PubChem 79046