Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Z3EBH68XDW
EPA CompTox DTXSID70207988

Structure

InChI Key YPRMWCKXOZFJGF-UHFFFAOYSA-N
Smiles BrC1=CC(=O)OC1=O
InChI
InChI=1S/C4HBrO3/c5-2-1-3(6)8-4(2)7/h1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H1Br1O3
Molecular Weight 175.91
AlogP 0.35
Hydrogen Bond Acceptor 3.0
Polar Surface Area 43.37
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 5926-51-2
NORMAN SUSDAT
FDA SRS Z3EBH68XDW
PubChem 80027
ChemSpider 21172233.0