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

Structure

InChI Key PLHSKXBFZPAQOD-UHFFFAOYSA-N
Smiles BrC(Br)(Br)[Hg]c1ccccc1
InChI
InChI=1/C6H5.CBr3.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;;/rC7H5Br3Hg/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5Br3Hg
Molecular Weight 527.76
AlogP 3.19
Number of Rotational Bond 1.0
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 3294-60-8
NORMAN SUSDAT