≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | C1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(=O)O |
|---|---|
| IUPAC Name | 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetic acid |
| InChIKey | CFZFARSJRUJYDY-UHFFFAOYSA-N |
| INCHI | 1S/C10H8ClNO4/c11-6-1-2-8-7(3-6)12(4-10(14)15)9(13)5-16-8/h1-3H,4-5H2,(H,14,15) |
| Isomeric SMILES | C1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(=O)O |
| PubChem CID | 2735706 |
| Molecular Weight | 241.63 |
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 | Benzoxazinones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoxazinones |
| Alternative Parents | Alpha amino acids and derivatives Benzomorpholines Alkyl aryl ethers Aryl chlorides Benzenoids Tertiary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzoxazinone - Alpha-amino acid or derivatives - Benzomorpholine - Alkyl aryl ether - Aryl chloride - Aryl halide - Oxazinane - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoxazinones. These are organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group. |
| External Descriptors | Not available |
| Sensitivity | Moisture sensitive |
|---|---|
| Molecular Weight | 241.630 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 241.014 Da |
| Monoisotopic Mass | 241.014 Da |
| Topological Polar Surface Area | 66.800 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 309.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-(6-Chloro-3-oxo-2H-benzo[b][1，4]oxazin-4(3H)-yl)acetic acid - ≥98% CAS No(26494-58-6) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/Y/6/Y699947.jpg)