Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3O8L0EWR5Q
EPA CompTox DTXSID6060507

Structure

InChI Key VQFAIAKCILWQPZ-UHFFFAOYSA-N
Smiles CC(=O)CBr
InChI
InChI=1S/C3H5BrO/c1-3(5)2-4/h2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H5Br1O1
Molecular Weight 135.95
AlogP 0.97
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 598-31-2
NORMAN SUSDAT
FDA SRS 3O8L0EWR5Q
PubChem 11715
ChemSpider 11223.0