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 | CC(C)(C1=NC=C(C=C1)C2=C(OC(=N2)C3=CC=C(C=C3)F)SC4=NC=C(C=C4)Cl)O |
|---|---|
| IUPAC Name | 2-[5-[5-(5-chloropyridin-2-yl)sulfanyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]pyridin-2-yl]propan-2-ol |
| InChIKey | DBZMCSVIITXLCC-UHFFFAOYSA-N |
| INCHI | 1S/C22H17ClFN3O2S/c1-22(2,28)17-9-5-14(11-25-17)19-21(30-18-10-6-15(23)12-26-18)29-20(27-19)13-3-7-16(24)8-4-13/h3-12,28H,1-2H3 |
| Peso molecular | 441.9 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azoles |
| Subclass | Oxazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenyl-1,3-oxazoles |
| Alternative Parents | Diarylthioethers 2,4,5-trisubstituted oxazoles Fluorobenzenes Pyridines and derivatives Aryl chlorides Aryl fluorides Tertiary alcohols Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Aromatic alcohols Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenyl-1,3-oxazole - Diarylthioether - 2,4,5-trisubstituted 1,3-oxazole - Aryl thioether - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Tertiary alcohol - Heteroaromatic compound - Thioether - Oxacycle - Azacycle - Sulfenyl compound - Alcohol - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic alcohol - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 441.900 g/mol |
|---|---|
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 441.071 Da |
| Monoisotopic Mass | 441.071 Da |
| Topological Polar Surface Area | 97.300 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 567.000 |
| 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 |
