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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 | CC1=NOC2=NC(=C(C(=C12)C(=O)O)Cl)C3CC3 |
|---|---|
| IUPAC Name | 5-chloro-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid |
| InChIKey | HWZKCPMMPXGFLI-UHFFFAOYSA-N |
| INCHI | 1S/C11H9ClN2O3/c1-4-6-7(11(15)16)8(12)9(5-2-3-5)13-10(6)17-14-4/h5H,2-3H2,1H3,(H,15,16) |
| Peso molecular | 252.65 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Isoxazolopyridines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoxazolopyridines |
| Alternative Parents | Pyridinecarboxylic acids 1-carboxy-2-haloaromatic compounds Aryl chlorides Vinylogous halides Isoxazoles Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,2-oxazolopyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - 1-carboxy-2-haloaromatic compound - Aryl chloride - Aryl halide - Pyridine - Azole - Isoxazole - Heteroaromatic compound - Vinylogous halide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as isoxazolopyridines. These are aromatic compounds containing an isoxazole ring fused to a pyridine ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. |
| External Descriptors | Not available |
| Peso molecular | 252.650 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 252.03 Da |
| Monoisotopic Mass | 252.03 Da |
| Topological Polar Surface Area | 76.200 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 337.000 |
| 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 |