Keyword(s): Human Metabolites
Molecule Category Free-form
UNII IG89OQ6Y85
EPA CompTox DTXSID70883448

Structure

InChI Key CRRUGYDDEMGVDY-UHFFFAOYSA-N
Smiles BrC(C=1C=CC=CC1)C
InChI
InChI=1/C8H9Br/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H9Br
Molecular Weight 183.99
AlogP 3.14
Number of Rotational Bond 1.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 585-71-7
NORMAN SUSDAT
FDA SRS IG89OQ6Y85
PubChem 11454