≥90% 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 | COC(=O)CC1COC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)Cl |
|---|---|
| IUPAC Name | methyl 2-[4-(4-chlorobenzoyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetate |
| InChIKey | ADGPQFOXXMCWCA-UHFFFAOYSA-N |
| INCHI | 1S/C18H16ClNO4/c1-23-17(21)10-14-11-24-16-5-3-2-4-15(16)20(14)18(22)12-6-8-13(19)9-7-12/h2-9,14H,10-11H2,1H3 |
| Isómeros SMILES | COC(=O)CC1COC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)Cl |
| PubChem CID | 3645398 |
| Peso molecular | 345.78 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzoxazines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoxazines |
| Alternative Parents | 4-halobenzoic acids and derivatives Benzomorpholines Benzamides Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Methyl esters Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzomorpholine - Benzoxazine - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Alkyl aryl ether - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Benzenoid - Aryl halide - Oxazinane - Aryl chloride - Tertiary carboxylic acid amide - Methyl ester - Carboxylic acid ester - Carboxamide group - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organochloride - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom). |
| External Descriptors | Not available |
| Peso molecular | 345.800 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 345.077 Da |
| Monoisotopic Mass | 345.077 Da |
| Topological Polar Surface Area | 55.800 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 464.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![methyl 2-[4-(4-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate - ≥90% , CAS No.861209-26-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)