Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0SGG217EFR
EPA CompTox DTXSID20212209

Structure

InChI Key WJUKOGPNGRUXMG-UHFFFAOYSA-N
Smiles ClC(Cl)(Br)C(Cl)(Cl)Br
InChI
InChI=1S/C2Br2Cl4/c3-1(5,6)2(4,7)8

Physicochemical Descriptors

Property Name Value
Molecular Formula C2Br2Cl4
Molecular Weight 321.71
AlogP 4.04
Number of Rotational Bond 1.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 630-25-1
NORMAN SUSDAT
FDA SRS 0SGG217EFR
PubChem 69426
ChemSpider 62634.0