Keyword(s): Human Metabolites
Molecule Category Free-form
UNII E79YZ864U3
EPA CompTox DTXSID7060677

Structure

InChI Key AQIHMSVIAGNIDM-UHFFFAOYSA-N
Smiles c1ccc(cc1)C(=O)Br
InChI
InChI=1S/C7H5BrO/c8-7(9)6-4-2-1-3-5-6/h1-5H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5Br1O1
Molecular Weight 183.95
AlogP 2.22
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 618-32-6
NORMAN SUSDAT
FDA SRS E79YZ864U3
PubChem 12056
ChemSpider 11559.0