≥95% 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.
| Sonrisas canónicas | C1CN(CCC1C(=O)O)C2=NN=C(C=C2)C3=CC(=CC=C3)F |
|---|---|
| IUPAC Name | 1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid |
| InChIKey | VNKFYDVYKILQCT-UHFFFAOYSA-N |
| INCHI | 1S/C16H16FN3O2/c17-13-3-1-2-12(10-13)14-4-5-15(19-18-14)20-8-6-11(7-9-20)16(21)22/h1-5,10-11H,6-9H2,(H,21,22) |
| Isómeros SMILES | C1CN(CCC1C(=O)O)C2=NN=C(C=C2)C3=CC(=CC=C3)F |
| CAS alternativo | 1119450-52-0 |
| PubChem CID | 25219802 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Diazines |
| Subclass | Pyridazines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridazines |
| Alternative Parents | Piperidinecarboxylic acids Dialkylarylamines Fluorobenzenes Aminopyridazines Imidolactams Aryl fluorides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpyridazine - Piperidinecarboxylic acid - Dialkylarylamine - Aminopyridazine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Piperidine - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpyridazines. These are organic compounds containing a pyridazine ring substituted by a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 301.310 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 301.123 Da |
| Monoisotopic Mass | 301.123 Da |
| Topological Polar Surface Area | 66.300 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 388.000 |
| 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 |
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