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≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CCOC(=O)C1=C(OC=C1C(F)(F)F)C |
|---|---|
| IUPAC Name | ethyl 2-methyl-4-(trifluoromethyl)furan-3-carboxylate |
| InChIKey | RQRLSFQHDQTZEF-UHFFFAOYSA-N |
| INCHI | 1S/C9H9F3O3/c1-3-14-8(13)7-5(2)15-4-6(7)9(10,11)12/h4H,3H2,1-2H3 |
| Peso molecular | 222.160 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Furans |
| Subclass | Furoic acid and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Furoic acid esters |
| Alternative Parents | Furan-3-carboxylic acid esters Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Furoic acid ester - Furan-3-carboxylic acid ester - Furan-3-carboxylic acid or derivatives - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Alkyl fluoride - Organooxygen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as furoic acid esters. These are ester derivatives of furoic acid. |
| External Descriptors | Not available |
| Peso molecular | 222.160 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 222.05 Da |
| Monoisotopic Mass | 222.05 Da |
| Topological Polar Surface Area | 39.400 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 239.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |