Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key WGVYCXYGPNNUQA-UHFFFAOYSA-N
Smiles BrCC=1C=CC=CC1C
InChI
InChI=1/C8H9Br/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H9Br
Molecular Weight 183.99
AlogP 2.89
Number of Rotational Bond 1.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 89-92-9
NORMAN SUSDAT
PubChem 6992