Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7BKM28RJ5D
EPA CompTox DTXSID2064608

Structure

InChI Key FUSFWUFSEJXMRQ-UHFFFAOYSA-N
Smiles COC(CBr)OC
InChI
InChI=1S/C4H9BrO2/c1-6-4(3-5)7-2/h4H,3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H9Br1O2
Molecular Weight 167.98
AlogP 1.0
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 18.46
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 7252-83-7
NORMAN SUSDAT
FDA SRS 7BKM28RJ5D
PubChem 81672
ChemSpider 6307.0