≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | COC1=CC(=C(C=C1)CN(C2=NC(=CC=C2)F)S(=O)(=O)C3=C(C=C4C(=C3)OC(=O)N4)F)OC |
|---|---|
| IUPAC Name | N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-N-(6-fluoropyridin-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide |
| InChIKey | YEEUUYYYWVRFCR-UHFFFAOYSA-N |
| INCHI | 1S/C21H17F2N3O6S/c1-30-13-7-6-12(16(8-13)31-2)11-26(20-5-3-4-19(23)25-20)33(28,29)18-10-17-15(9-14(18)22)24-21(27)32-17/h3-10H,11H2,1-2H3,(H,24,27) |
| Isomeric SMILES | COC1=CC(=C(C=C1)CN(C2=NC(=CC=C2)F)S(=O)(=O)C3=C(C=C4C(=C3)OC(=O)N4)F)OC |
| PubChem CID | 90112683 |
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 | Benzoxazoles |
| Subclass | Benzoxazolones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoxazolones |
| Alternative Parents | Dimethoxybenzenes Phenoxy compounds Anisoles 2-halopyridines Alkyl aryl ethers Organosulfonamides Imidolactams Aryl fluorides Oxazoles Aminosulfonyl compounds Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzoxazolone - M-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - 2-halopyridine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyridine - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Azole - Oxazole - Heteroaromatic compound - Oxacycle - Azacycle - Ether - Organohalogen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoxazolones. These are organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group. |
| External Descriptors | Not available |
| Molecular Weight | 477.400 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 7 |
| Exact Mass | 477.081 Da |
| Monoisotopic Mass | 477.081 Da |
| Topological Polar Surface Area | 115.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 799.000 |
| 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 |
![N-(2,4-dimethoxybenzyl)-5-fluoro-N-(6-fluoropyridin-2-yl)-2-oxo-2,3-dihydrobenzo[d]oxazole-6-sulfonamide - ≥98% , CAS No.1607485-79-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)