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

Structure

InChI Key ANRQGKOBLBYXFM-UHFFFAOYSA-M
Smiles Br[Mg]c1ccccc1
InChI
InChI=1/C6H5.BrH.Mg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q;;+1/p-1/rC6H5BrMg/c7-8-6-4-2-1-3-5-6/h1-5H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5BrMg
Molecular Weight 179.94
AlogP 1.33
Number of Rotational Bond 1.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 100-58-3
NORMAN SUSDAT