Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60962291

Structure

InChI Key GNWKBOXWJIRYCL-UHFFFAOYSA-N
Smiles ClC1=CC=C(O)C(Br)=C1Cl
InChI
InChI=1/C6H3BrCl2O/c7-5-4(10)2-1-3(8)6(5)9/h1-2,10H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H3BrCl2O
Molecular Weight 239.87
AlogP 3.46
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 42121-92-6
NORMAN SUSDAT
PubChem 3016323