≥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.
| Canonical Smiles | CC1COC2=CC=CC=C2N1C(=O)C3=CN=C(C=C3)Cl |
|---|---|
| IUPAC Name | (6-chloropyridin-3-yl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone |
| InChIKey | MBUMKKZDPPGVDS-UHFFFAOYSA-N |
| INCHI | 1S/C15H13ClN2O2/c1-10-9-20-13-5-3-2-4-12(13)18(10)15(19)11-6-7-14(16)17-8-11/h2-8,10H,9H2,1H3 |
| Isomeric SMILES | CC1COC2=CC=CC=C2N1C(=O)C3=CN=C(C=C3)Cl |
| PubChem CID | 3809132 |
| Molecular Weight | 288.73 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzoxazines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoxazines |
| Alternative Parents | Benzomorpholines Pyridinecarboxylic acids and derivatives Alkyl aryl ethers 2-halopyridines Benzenoids Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzomorpholine - Benzoxazine - Pyridine carboxylic acid or derivatives - Alkyl aryl ether - 2-halopyridine - Aryl chloride - Aryl halide - Oxazinane - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 288.730 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 288.067 Da |
| Monoisotopic Mass | 288.067 Da |
| Topological Polar Surface Area | 42.400 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 366.000 |
| 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 |
