≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)O |
|---|---|
| IUPAC Name | 6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid |
| InChIKey | DBLMTKDBFGZVBA-UHFFFAOYSA-N |
| INCHI | 1S/C10H10ClNO5S/c1-18(15,16)12-5-9(10(13)14)17-8-3-2-6(11)4-7(8)12/h2-4,9H,5H2,1H3,(H,13,14) |
| Isomeric SMILES | CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)O |
| PubChem CID | 5193461 |
| Molecular Weight | 291.71 |
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 |
| Class | Benzoxazines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoxazines |
| Alternative Parents | Benzomorpholines Alkyl aryl ethers Organosulfonamides Aryl chlorides Benzenoids Organic sulfonamides Sulfonyls Oxacyclic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organochlorides Organopnictogen compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzomorpholine - Benzoxazine - Alkyl aryl ether - Aryl chloride - Aryl halide - Oxazinane - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid amide - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - 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 | 291.710 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 290.997 Da |
| Monoisotopic Mass | 290.997 Da |
| Topological Polar Surface Area | 92.300 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 434.000 |
| 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 |
