Keyword(s): Human Metabolites
Molecule Category Free-form
UNII VPD6FF59X8
EPA CompTox DTXSID1066990

Structure

InChI Key UXPDRIMBYCEVCO-UHFFFAOYNA-N
Smiles CC(=O)OC(Br)CBr
InChI
InChI=1S/C4H6Br2O2/c1-3(7)8-4(6)2-5/h4H,2H2,1H3/t4-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6Br2O2
Molecular Weight 243.87
AlogP 1.67
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 24442-57-7
NORMAN SUSDAT
FDA SRS VPD6FF59X8
ChemSpider 30006.0