(2,4,6-Tribromophenyl) 4-methylbenzenesulfonate
Basic information
- CAS
2437-48-1- Standard SMILES
Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2Br)cc1- InChIKey
UXLDHZJHKXURKG-UHFFFAOYSA-N- Molecular formula
- C13H9Br3O3S
- Average molar mass
- 485 g/mol
- Monoisotopic mass
- 481.78225
Names & identifiers
- Preferred name
- (2,4,6-Tribromophenyl) 4-methylbenzenesulfonate
- IUPAC
- (2,4,6-tribromophenyl) 4-methylbenzenesulfonate
Names & synonyms
2,4,6-tribromophenyl 4-methylbenzene-1-sulfonate(2,4,6-tribromophenyl) 4-methylbenzenesulfonate2437-48-1NSC2217SCHEMBL11626961DTXSID60277392NSC-2217AKOS000579382Phenol, 2,4,6-tribromo-,p-toluenesulfonateEN300-73517782,6-TRIBROMOPHENOL, 4-METHYLBENZENESULFONATEPhenol, 2,4,6-tribromo-, 4-methylbenzenesulfonate
Database identifiers
- CAS
2437-48-1- PubChem CID
- 220022
- DTXSID
DTXSID60277392- Nikkaji
- J136.467G
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 403
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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