3-Tert-butylphenyl 2-nitrobenzenesulfonate
(3-tert-butylphenyl) 2-nitrobenzenesulfonate
Also Known As: 3-tert-butylphenyl 2-nitrobenzenesulfonate|(3-tert-butylphenyl) 2-nitrobenzenesulfonate|3-tert-Butylphenyl 2-nitrobenzene-1-sulfonate|Benzenesulfonic acid,2-nitro-, 3-(1,1-dimethylethyl)phenyl ester
CAS: 253-53-2
| Molecular Formula | C16H17NO5S |
|---|---|
| Molecular Weight | 335.08273 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.08273 |
| Monoisotopic Mass | 335.08273 |
| Heavy Atoms | 23 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 253-53-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | RSHQVNMJYOPWBB-UHFFFAOYSA-N |
Product Overview
3-Tert-butylphenyl 2-nitrobenzenesulfonate (CAS 253-53-2), with molecular formula C16H17NO5S and molecular weight 335.08273 g/mol. IUPAC: (3-tert-butylphenyl) 2-nitrobenzenesulfonate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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