≥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 | COC1=CC(=O)N(N=C1C(=O)O)C2=CC=C(C=C2)F |
|---|---|
| IUPAC Name | 1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxylic acid |
| InChIKey | KDZJEKUMPAPRMM-UHFFFAOYSA-N |
| INCHI | 1S/C12H9FN2O4/c1-19-9-6-10(16)15(14-11(9)12(17)18)8-4-2-7(13)3-5-8/h2-6H,1H3,(H,17,18) |
| Isomeric SMILES | COC1=CC(=O)N(N=C1C(=O)O)C2=CC=C(C=C2)F |
| PubChem CID | 33675992 |
| Molecular Weight | 264.21 |
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 | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyridazines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridazinones |
| Alternative Parents | Fluorobenzenes Alkyl aryl ethers Aryl fluorides Vinylogous esters Heteroaromatic compounds Lactams Carboxylic acids Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alkyl aryl ether - Fluorobenzene - Pyridazinone - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous ester - Lactam - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridazinones. These are compounds containing a pyridazine ring which bears a ketone. |
| External Descriptors | Not available |
| Molecular Weight | 264.210 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 264.055 Da |
| Monoisotopic Mass | 264.055 Da |
| Topological Polar Surface Area | 79.200 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 453.000 |
| 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 |
