Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10940266

Structure

InChI Key HWKWYDXHMQQDQJ-UHFFFAOYSA-N
Smiles O=C(Cl)C(Br)CBr
InChI
InChI=1/C3H3Br2ClO/c4-1-2(5)3(6)7/h2H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H3Br2ClO
Molecular Weight 247.82
AlogP 1.91
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 18791-02-1
NORMAN SUSDAT
PubChem 86790