Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50180508

Structure

InChI Key CMIMBQIBIZZZHQ-UHFFFAOYSA-N
Smiles Cc1ccc2ccccc2c1Br
InChI
InChI=1S/C11H9Br/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-7H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H9Br1
Molecular Weight 219.99
AlogP 3.91
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 2586-62-1
NORMAN SUSDAT
PubChem 75754
ChemSpider 68267.0