3,6-Dimethyl-2-(2,2,2-trifluoroethoxycarbonyl)benzoic acid
3,6-dimethyl-2-(2,2,2-trifluoroethoxycarbonyl)benzoic acid
Also Known As: 3,6-dimethyl-2-(2,2,2-trifluoroethoxycarbonyl)benzoic acid|3,6-Dimethyl-2-[(2,2,2-trifluoroethoxy)carbonyl]benzoic acid
CAS: 55577-76-9
| Molecular Formula | C12H11F3O4 |
|---|---|
| Molecular Weight | 276.06094 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.06094 |
| Monoisotopic Mass | 276.06094 |
| Heavy Atoms | 19 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 55577-76-9 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C)C(=O)OCC(F)(F)F)C(=O)O |
| InChIKey | IIJNIEOQENEZIY-UHFFFAOYSA-N |
Product Overview
3,6-Dimethyl-2-(2,2,2-trifluoroethoxycarbonyl)benzoic acid (CAS 55577-76-9), with molecular formula C12H11F3O4 and molecular weight 276.06094 g/mol. IUPAC: 3,6-dimethyl-2-(2,2,2-trifluoroethoxycarbonyl)benzoic 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.
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3,6-Dimethyl-2-(2,2,2-trifluoroethoxycarbonyl)benzoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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