Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID4027521

Structure

InChI Key SUISZCALMBHJQX-UHFFFAOYSA-N
Smiles Brc1cccc(C=O)c1
InChI
InChI=1S/C7H5BrO/c8-7-3-1-2-6(4-7)5-9/h1-5H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5Br1O1
Molecular Weight 183.95
AlogP 2.26
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 3132-99-8
NORMAN SUSDAT
PubChem 76583
ChemSpider 21106543.0