Keyword(s): Human Metabolites
Molecule Category Free-form
UNII YQ2XT7CKM5
EPA CompTox DTXSID10176508

Structure

InChI Key LXWLEQZDXOQZGW-UHFFFAOYSA-N
Smiles Brc1cocc1
InChI
InChI=1S/C4H3BrO/c5-4-1-2-6-3-4/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H3Br1O1
Molecular Weight 145.94
AlogP 2.04
Hydrogen Bond Acceptor 1.0
Polar Surface Area 13.14
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 22037-28-1
NORMAN SUSDAT
FDA SRS YQ2XT7CKM5
PubChem 89164
ChemSpider 80460.0