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≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | C1=CC=C2C(=C1)C=CC=C2C3=NC4=C(C=NN4C(=C3)C(F)(F)F)C(=O)O |
|---|---|
| IUPAC Name | 5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid |
| InChIKey | AUQQLJUPTMKLQR-UHFFFAOYSA-N |
| INCHI | 1S/C18H10F3N3O2/c19-18(20,21)15-8-14(23-16-13(17(25)26)9-22-24(15)16)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,25,26) |
| Isómeros SMILES | C1=CC=C2C(=C1)C=CC=C2C3=NC4=C(C=NN4C(=C3)C(F)(F)F)C(=O)O |
| PubChem CID | 7017081 |
| Peso molecular | 357.292 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Naphthalenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthalenes |
| Alternative Parents | Pyrazolo[1,5-a]pyrimidines Pyrazole carboxylic acids and derivatives Pyrimidines and pyrimidine derivatives Vinylogous amides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Naphthalene - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Pyrazole-4-carboxylic acid or derivatives - Pyrimidine - Azole - Pyrazole - Vinylogous amide - Heteroaromatic compound - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Alkyl halide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alkyl fluoride - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. |
| External Descriptors | Not available |
| Peso molecular | 357.300 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 357.073 Da |
| Monoisotopic Mass | 357.073 Da |
| Topological Polar Surface Area | 67.500 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 544.000 |
| 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 |