≥98% 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 | CC1(C(=O)NC2=C(O1)C(=CC(=C2)F)Br)C |
|---|---|
| IUPAC Name | 8-bromo-6-fluoro-2,2-dimethyl-4H-1,4-benzoxazin-3-one |
| InChIKey | LPEKDSIHOMODMZ-UHFFFAOYSA-N |
| INCHI | 1S/C10H9BrFNO2/c1-10(2)9(14)13-7-4-5(12)3-6(11)8(7)15-10/h3-4H,1-2H3,(H,13,14) |
| Isomeric SMILES | CC1(C(=O)NC2=C(O1)C(=CC(=C2)F)Br)C |
| PubChem CID | 21873552 |
| Molecular Weight | 274.09 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Benzomorpholines Alkyl aryl ethers Benzenoids Aryl fluorides Aryl bromides Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzoxazinone - Benzomorpholine - Alkyl aryl ether - Aryl bromide - Aryl fluoride - Aryl halide - Oxazinane - Benzenoid - Secondary carboxylic acid amide - Carboxamide group - Lactam - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - Organofluoride - 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 |
| Molecular Weight | 274.090 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 272.98 Da |
| Monoisotopic Mass | 272.98 Da |
| Topological Polar Surface Area | 38.300 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 285.000 |
| 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 |
![8-Bromo-6-fluoro-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one - ≥98% , CAS No.688363-74-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)