≥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 | CCOC1=C(C=CC(=C1)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)Cl)O |
|---|---|
| IUPAC Name | 5-(4-chlorobenzoyl)-6-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one |
| InChIKey | GVRCKTDQJDJBPP-UHFFFAOYSA-N |
| INCHI | 1S/C20H18ClF3N2O5/c1-2-31-14-9-11(5-8-13(14)27)16-15(17(28)10-3-6-12(21)7-4-10)19(30,20(22,23)24)26-18(29)25-16/h3-9,15-16,27,30H,2H2,1H3,(H2,25,26,29) |
| Molecular Weight | 458.8 |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Pyrimidones Alkyl aryl ethers Chlorobenzenes Aryl chlorides Diazinanes Ureas Fluorohydrins Azacyclic compounds Alkanolamines Organic oxides Organochlorides Organofluorides Alkyl fluorides Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alkyl-phenylketone - Phenol ether - Aryl alkyl ketone - Benzoyl - Phenoxy compound - Alkyl aryl ether - Halobenzene - Chlorobenzene - Pyrimidone - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Pyrimidine - 1,3-diazinane - Aryl halide - Aryl chloride - Halohydrin - Urea - Carbonic acid derivative - Fluorohydrin - Alkanolamine - Azacycle - Organoheterocyclic compound - Ether - Organonitrogen compound - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alkyl halide - Organofluoride - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 458.800 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 458.086 Da |
| Monoisotopic Mass | 458.086 Da |
| Topological Polar Surface Area | 108.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 674.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
