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=C(C=C1)CN2C(=O)C3C(N(OC3C2=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)F |
|---|---|
| IUPAC Name | 5-benzyl-2-(4-chlorophenyl)-3-(4-fluorophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione |
| InChIKey | FLZQMQNJFHDFPB-UHFFFAOYSA-N |
| INCHI | 1S/C24H18ClFN2O3/c25-17-8-12-19(13-9-17)28-21(16-6-10-18(26)11-7-16)20-22(31-28)24(30)27(23(20)29)14-15-4-2-1-3-5-15/h1-13,20-22H,14H2 |
| Peso molecular | 436.9 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azolidines |
| Subclass | Isoxazolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylisoxazolidines |
| Alternative Parents | 1-hydroxylamino, 2-unsubstituted benzenoids N-phenylhydroxylamines Chlorobenzenes Fluorobenzenes Pyrrolidine-2-ones Aryl chlorides Aryl fluorides N-alkylpyrrolidines N-substituted carboxylic acid imides Dicarboximides Lactams Azacyclic compounds Oxacyclic compounds N-organohydroxylamines Hydrocarbon derivatives Organopnictogen compounds Organofluorides Carbonyl compounds Organic oxides Organochlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylisoxazolidine - N-phenylhydroxylamine - 1-hydroxylamino, 2-unsubstituted benzenoid - Halobenzene - Fluorobenzene - Chlorobenzene - Carboxylic acid imide, n-substituted - Aryl chloride - Aryl fluoride - Pyrrolidone - Monocyclic benzene moiety - Aryl halide - Benzenoid - N-alkylpyrrolidine - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Carboxylic acid imide - Lactam - Carboxylic acid derivative - Oxacycle - Azacycle - N-organohydroxylamine - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylisoxazolidines. These are heterocyclic compounds containing an isoxazolidine conjugated by a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 436.900 g/mol |
|---|---|
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 436.099 Da |
| Monoisotopic Mass | 436.099 Da |
| Topological Polar Surface Area | 49.900 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 672.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![5-benzyl-2-(4-chlorophenyl)-3-(4-fluorophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione , CAS No.352665-95-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)