≥90% 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.
| Sonrisas canónicas | C1=CC(=C(C(=C1)Cl)COC2=CC=C(C=C2)C=C3C(=O)NC(=O)NC3=O)F |
|---|---|
| IUPAC Name | 5-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione |
| InChIKey | WVKAUYRRLSJKAN-UHFFFAOYSA-N |
| INCHI | 1S/C18H12ClFN2O4/c19-14-2-1-3-15(20)13(14)9-26-11-6-4-10(5-7-11)8-12-16(23)21-18(25)22-17(12)24/h1-8H,9H2,(H2,21,22,23,24,25) |
| Isómeros SMILES | C1=CC(=C(C(=C1)Cl)COC2=CC=C(C=C2)C=C3C(=O)NC(=O)NC3=O)F |
| PubChem CID | 1337610 |
| Peso molecular | 374.75 |
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 |
| Clase | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Pyrimidones |
| Direct Parent | Barbituric acid derivatives |
| Alternative Parents | Phenoxy compounds Phenol ethers Alkyl aryl ethers Chlorobenzenes N-acyl ureas Fluorobenzenes Aryl chlorides Aryl fluorides Diazinanes Dicarboximides Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organofluorides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Barbiturate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Ureide - Chlorobenzene - Fluorobenzene - Halobenzene - N-acyl urea - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3-diazinane - Dicarboximide - Urea - Carbonic acid derivative - Ether - Carboxylic acid derivative - Azacycle - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups. |
| External Descriptors | Not available |
| Peso molecular | 374.700 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 374.047 Da |
| Monoisotopic Mass | 374.047 Da |
| Topological Polar Surface Area | 84.500 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 582.000 |
| 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 |
![5-({4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione - ≥90% , CAS No.430469-95-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)