≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CCOC1=C(C(=CC(=C1F)F)C(=O)O)F |
|---|---|
| IUPAC Name | 3-ethoxy-2,4,5-trifluorobenzoic acid |
| InChIKey | HXAPHOPNZQFBEJ-UHFFFAOYSA-N |
| INCHI | 1S/C9H7F3O3/c1-2-15-8-6(11)4(9(13)14)3-5(10)7(8)12/h3H,2H2,1H3,(H,13,14) |
| Isómeros SMILES | CCOC1=C(C(=CC(=C1F)F)C(=O)O)F |
| Peso molecular | 220.15 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Halobenzoic acids and derivatives |
| Direct Parent | Halobenzoic acids |
| Alternative Parents | 4-halobenzoic acids 3-halobenzoic acids 2-halobenzoic acids Benzoic acids Phenoxy compounds Phenol ethers Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Fluorobenzenes Alkyl aryl ethers Aryl fluorides Vinylogous halides Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - 4-halobenzoic acid - 3-halobenzoic acid - Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - 1-carboxy-2-haloaromatic compound - Halobenzene - Fluorobenzene - Alkyl aryl ether - Aryl halide - Aryl fluoride - Vinylogous halide - Ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 220.140 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 220.035 Da |
| Monoisotopic Mass | 220.035 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 237.000 |
| 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 |
B2626574