≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 | C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(O3)Br)OCC(=O)N |
|---|---|
| IUPAC Name | 2-[2-(5-bromofuran-2-yl)-4-oxochromen-3-yl]oxyacetamide |
| InChIKey | KGIGMCONNWRUGX-UHFFFAOYSA-N |
| INCHI | 1S/C15H10BrNO5/c16-11-6-5-10(21-11)14-15(20-7-12(17)18)13(19)8-3-1-2-4-9(8)22-14/h1-6H,7H2,(H2,17,18) |
| Isomeric SMILES | C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(O3)Br)OCC(=O)N |
| Alternate CAS | 819827-50-4 |
| PubChem CID | 1696267 |
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 | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chromones |
| Alternative Parents | Pyranones and derivatives Alkyl aryl ethers Benzenoids Aryl bromides Heteroaromatic compounds Furans Primary carboxylic acid amides Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Chromone - Alkyl aryl ether - Pyranone - Aryl bromide - Aryl halide - Benzenoid - Pyran - Heteroaromatic compound - Furan - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Ether - Oxacycle - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety. |
| External Descriptors | Not available |
| Molecular Weight | 364.150 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 362.974 Da |
| Monoisotopic Mass | 362.974 Da |
| Topological Polar Surface Area | 91.800 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 506.000 |
| 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 |
