Keyword(s): Human Metabolites
Molecule Category Free-form
UNII QMC9NTS6GR
EPA CompTox DTXSID0064385

Structure

InChI Key YZUPZGFPHUVJKC-UHFFFAOYSA-N
Smiles COCCBr
InChI
InChI=1S/C3H7BrO/c1-5-3-2-4/h2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H7Br1O1
Molecular Weight 137.97
AlogP 1.03
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 9.23
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 6482-24-2
NORMAN SUSDAT
FDA SRS QMC9NTS6GR
PubChem 80972
ChemSpider 73058.0