Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60886004

Structure

InChI Key WAXPIYHHPONHIN-UHFFFAOYSA-N
Smiles O=P(Cl)(Br)OCC(C)(C)CBr
InChI
InChI=1/C5H10Br2ClO2P/c1-5(2,3-6)4-10-11(7,8)9/h3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10Br2ClO2P
Molecular Weight 325.85
AlogP 4.17
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 26.3
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 52463-50-0
NORMAN SUSDAT
PubChem 104200