≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Canonical Smiles | C1=CC=C(C(=C1)NC(=O)CC(=O)O)OC2=C(C=C(C=N2)C(F)(F)F)Cl |
|---|---|
| IUPAC Name | 3-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]-3-oxopropanoic acid |
| InChIKey | SIEKBQPWGCCNGS-UHFFFAOYSA-N |
| INCHI | 1S/C15H10ClF3N2O4/c16-9-5-8(15(17,18)19)7-20-14(9)25-11-4-2-1-3-10(11)21-12(22)6-13(23)24/h1-5,7H,6H2,(H,21,22)(H,23,24) |
| Isomeric SMILES | C1=CC=C(C(=C1)NC(=O)CC(=O)O)OC2=C(C=C(C=N2)C(F)(F)F)Cl |
| PubChem CID | 1487270 |
| Molecular Weight | 374.7 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diarylethers |
| Alternative Parents | Anilides Phenoxy compounds Phenol ethers N-arylamides Pyridines and derivatives 1,3-dicarbonyl compounds Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Alkyl fluorides Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Organofluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Diaryl ether - Anilide - Phenoxy compound - Phenol ether - N-arylamide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3-dicarbonyl compound - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups. |
| External Descriptors | Not available |
| Molecular Weight | 374.700 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 374.028 Da |
| Monoisotopic Mass | 374.028 Da |
| Topological Polar Surface Area | 88.500 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 492.000 |
| 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 |
![3-(2-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-3-oxopropanoic acid - ≥90% CAS No(321433-61-8) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/C/9/C977479.jpg)