≥95% 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 | C=CCN1C=C(C=C(C1=O)C#N)C(=O)C2=C(C=CC(=C2)F)O |
|---|---|
| IUPAC Name | 5-(5-fluoro-2-hydroxybenzoyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile |
| InChIKey | LZVGZKBKWHGNTP-UHFFFAOYSA-N |
| INCHI | 1S/C16H11FN2O3/c1-2-5-19-9-11(6-10(8-18)16(19)22)15(21)13-7-12(17)3-4-14(13)20/h2-4,6-7,9,20H,1,5H2 |
| Molecular Weight | 298.27 |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Aryl-phenylketones |
| Alternative Parents | Pyridinecarboxylic acids and derivatives P-fluorophenols 3-pyridinecarbonitriles Benzoyl derivatives Pyridinones 1-hydroxy-2-unsubstituted benzenoids Dihydropyridines Fluorobenzenes Aryl fluorides Vinylogous amides Vinylogous acids Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl-phenylketone - Pyridine carboxylic acid or derivatives - Benzoyl - 4-halophenol - 4-fluorophenol - 3-pyridinecarbonitrile - 1-hydroxy-2-unsubstituted benzenoid - Dihydropyridine - Fluorobenzene - Halobenzene - Phenol - Pyridinone - Monocyclic benzene moiety - Aryl fluoride - Hydropyridine - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Lactam - Nitrile - Carbonitrile - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 298.270 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 298.075 Da |
| Monoisotopic Mass | 298.075 Da |
| Topological Polar Surface Area | 81.400 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 614.000 |
| 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 |
