≥90% 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.
| Canonical Smiles | CC1=C(N=C(S1)C2=CC=CC=N2)OC(=O)C3=C(C=C(C=C3)F)F |
|---|---|
| IUPAC Name | (5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 2,4-difluorobenzoate |
| InChIKey | QRKSBELIKLNLNV-UHFFFAOYSA-N |
| INCHI | 1S/C16H10F2N2O2S/c1-9-14(20-15(23-9)13-4-2-3-7-19-13)22-16(21)11-6-5-10(17)8-12(11)18/h2-8H,1H3 |
| Isomeric SMILES | CC1=C(N=C(S1)C2=CC=CC=N2)OC(=O)C3=C(C=C(C=C3)F)F |
| PubChem CID | 3730790 |
| Molecular Weight | 332.33 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | 2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives 2,4,5-trisubstituted thiazoles Benzoyl derivatives Fluorobenzenes Pyridines and derivatives Aryl fluorides Vinylogous halides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organic oxides Organofluorides Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzoate ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - 2,4,5-trisubstituted 1,3-thiazole - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Pyridine - Azole - Heteroaromatic compound - Vinylogous halide - Thiazole - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
| External Descriptors | Not available |
| Molecular Weight | 332.300 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 332.043 Da |
| Monoisotopic Mass | 332.043 Da |
| Topological Polar Surface Area | 80.300 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 429.000 |
| 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 |
