(2,4,6-Tribromophenyl) 4-methylbenzenesulfonate
(2,4,6-tribromophenyl) 4-methylbenzenesulfonate
Also Known As: 2,4,6-tribromo-phenol|2,4,6-tribromophenyl 4-methylbenzene-1-sulfonate|(2,4,6-tribromophenyl) 4-methylbenzenesulfonate|BAS 00154454|Toluene-4-sulfonic acid 2,4,6-tribromo-phenyl ester|Phenol, 2,4,6-tribromo-,p-toluenesulfonate|p-Toluenesulfonic acid 2,4,6-tribromophenyl ester|2,6-TRIBROMOPHENOL, 4-METHYLBENZENESULFONATE|Phenol, 2,4,6-tribromo-, 4-methylbenzenesulfonate|Phenol,2,4,6-tribromo-, 1-(4-methylbenzenesulfonate)
| Molecular Formula | C13H9Br3O3S |
|---|---|
| Molecular Weight | 481.78226 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 481.78226 |
| Monoisotopic Mass | 481.78226 |
| Heavy Atoms | 20 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 28221-89-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Br)Br)Br |
| InChIKey | UXLDHZJHKXURKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,4,6-Tribromophenyl) 4-methylbenzenesulfonate (CAS 28221-89-8), with molecular formula C13H9Br3O3S and molecular weight 481.78226 g/mol. IUPAC: (2,4,6-tribromophenyl) 4-methylbenzenesulfonate.