Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID101001953

Structure

InChI Key SRFTYAFYJJADPI-UHFFFAOYSA-N
Smiles O=CC(=O)CBr
InChI
InChI=1/C3H3BrO2/c4-1-3(6)2-5/h2H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H3BrO2
Molecular Weight 149.93
AlogP 0.15
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 34.14
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 81371-84-8
NORMAN SUSDAT
PubChem 3018997