3-(Fluorosulfonyl)-4-methylbenzoic acid
3-fluorosulfonyl-4-methylbenzoic acid
Also Known As: 3-(fluorosulfonyl)-4-methylbenzoic acid|3-fluorosulfonyl-4-methylbenzoic acid|3-(fluorosulfonyl)-4-methylbenzoicacid|3-fluorosulfonyl-4-methyl-benzoic acid|BENZOIC ACID,3-(FLUOROSULFONYL)-4-METHYL-|VS-0019|NCGC00664871-01|F1921-0917|817-903-8
CAS: 21322-93-0
| Molecular Formula | C8H7FO4S |
|---|---|
| Molecular Weight | 218.00491 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.00491 |
| Monoisotopic Mass | 218.00491 |
| Heavy Atoms | 14 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 21322-93-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)F |
| InChIKey | BANDUEHUKCIKIF-UHFFFAOYSA-N |
Product Overview
3-(Fluorosulfonyl)-4-methylbenzoic acid (CAS 21322-93-0), with molecular formula C8H7FO4S and molecular weight 218.00491 g/mol. IUPAC: 3-fluorosulfonyl-4-methylbenzoic acid.
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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