≥95% 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 | C1C(=O)N(C2=C(O1)C=CC(=C2)Br)CCCl |
|---|---|
| IUPAC Name | 6-bromo-4-(2-chloroethyl)-1,4-benzoxazin-3-one |
| InChIKey | OZSIZAJKVCSLKG-UHFFFAOYSA-N |
| INCHI | 1S/C10H9BrClNO2/c11-7-1-2-9-8(5-7)13(4-3-12)10(14)6-15-9/h1-2,5H,3-4,6H2 |
| Molecular Weight | 290.54 |
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 | Benzoxazinones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoxazinones |
| Alternative Parents | Benzomorpholines Alkyl aryl ethers Aryl bromides Benzenoids Tertiary carboxylic acid amides Tertiary amines Amino acids and derivatives Lactams Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Alkyl chlorides Organochlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzoxazinone - Benzomorpholine - Alkyl aryl ether - Aryl bromide - Aryl halide - Oxazinane - Benzenoid - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Carboxamide group - Lactam - Azacycle - Oxacycle - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Amine - Alkyl halide - Alkyl chloride - 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 | 290.540 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 288.951 Da |
| Monoisotopic Mass | 288.951 Da |
| Topological Polar Surface Area | 29.500 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 252.000 |
| 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 |
