Bicyclo[2.2.2]oct-1-ylmethyl 4-methylbenzene-1-sulfonate
1-bicyclo[2.2.2]octanylmethyl 4-methylbenzenesulfonate
Also Known As: Maybridge1_005504|DivK1c_001792|HMS557C04|bicyclo[2.2.2]oct-1-ylmethyl 4-methylbenzene-1-sulfonate|CDS1_000752|1-bicyclo[2.2.2]octanylmethyl 4-methylbenzenesulfonate|Bicyclo[2,2,2]oct-1-ylmethyl para-toluenesulfonate|4-bicyclo[2.2.2]octanylmethyl 4-methylbenzenesulfonate|1-[(4-methylphenyl)sulfonyloxymethyl]bicyclo[2.2.2]octane|(Bicyclo[2.2.2]octan-1-yl)methyl 4-methylbenzene-1-sulfonate
| Molecular Formula | C16H22O3S |
|---|---|
| Molecular Weight | 294.12897 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.12897 |
| Monoisotopic Mass | 294.12897 |
| Heavy Atoms | 20 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 2346-07-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC23CCC(CC2)CC3 |
| InChIKey | JLNJPLJDELGGKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bicyclo[2.2.2]oct-1-ylmethyl 4-methylbenzene-1-sulfonate (CAS 2346-07-8), with molecular formula C16H22O3S and molecular weight 294.12897 g/mol. IUPAC: 1-bicyclo[2.2.2]octanylmethyl 4-methylbenzenesulfonate.
Bicyclo[2.2.2]oct-1-ylmethyl 4-methylbenzene-1-sulfonate is a custom synthesis product. We offer services from milligram to kilogram scale.
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