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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CN1C(=O)C(=CC2=CC=CC=C2OC3=CC=C(C=C3)Cl)C(=O)N(C1=O)C |
|---|---|
| IUPAC Name | 5-[[2-(4-chlorophenoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione |
| InChIKey | XFUGFPMGSHUQLB-UHFFFAOYSA-N |
| INCHI | 1S/C19H15ClN2O4/c1-21-17(23)15(18(24)22(2)19(21)25)11-12-5-3-4-6-16(12)26-14-9-7-13(20)8-10-14/h3-11H,1-2H3 |
| Isomeric SMILES | CN1C(=O)C(=CC2=CC=CC=C2OC3=CC=C(C=C3)Cl)C(=O)N(C1=O)C |
| PubChem CID | 2767802 |
| Molecular Weight | 370.79 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Diphenylethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylethers |
| Alternative Parents | Diarylethers Barbituric acid derivatives Phenoxy compounds Phenol ethers Chlorobenzenes N-acyl ureas Aryl chlorides Diazinanes Dicarboximides Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Diphenylether - Diaryl ether - Barbiturate - Phenoxy compound - Phenol ether - N-acyl urea - Halobenzene - Chlorobenzene - Pyrimidone - Ureide - Aryl chloride - Aryl halide - 1,3-diazinane - Pyrimidine - Dicarboximide - Carbonic acid derivative - Urea - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Ether - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group. |
| External Descriptors | Not available |
| Molecular Weight | 370.800 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 370.072 Da |
| Monoisotopic Mass | 370.072 Da |
| Topological Polar Surface Area | 66.900 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 587.000 |
| 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-{[2-(4-chlorophenoxy)phenyl]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione , CAS No.477856-96-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)