≥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=CC=C(C=C3)Cl |
|---|---|
| IUPAC Name | (4-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone |
| InChIKey | UILNYSZPKJYGPZ-UHFFFAOYSA-N |
| INCHI | 1S/C16H14ClNO2/c1-11-10-20-15-5-3-2-4-14(15)18(11)16(19)12-6-8-13(17)9-7-12/h2-9,11H,10H2,1H3 |
| Isomeric SMILES | CC1COC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)Cl |
| PubChem CID | 3457106 |
| Molecular Weight | 287.75 |
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 4-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Chlorobenzenes Alkyl aryl ethers Aryl chlorides Tertiary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| 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 - Aryl chloride - Oxazinane - Tertiary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Azacycle - Oxacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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 | 287.740 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 287.071 Da |
| Monoisotopic Mass | 287.071 Da |
| Topological Polar Surface Area | 29.500 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 354.000 |
| 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 |
