≥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 | COC1=CC=C(C=C1)N2C=C(C(=O)N(C2=O)CC3=CC=C(C=C3)F)C#N |
|---|---|
| IUPAC Name | 3-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,4-dioxopyrimidine-5-carbonitrile |
| InChIKey | LZTYSYXIXUIICB-UHFFFAOYSA-N |
| INCHI | 1S/C19H14FN3O3/c1-26-17-8-6-16(7-9-17)22-12-14(10-21)18(24)23(19(22)25)11-13-2-4-15(20)5-3-13/h2-9,12H,11H2,1H3 |
| Isómeros SMILES | COC1=CC=C(C=C1)N2C=C(C(=O)N(C2=O)CC3=CC=C(C=C3)F)C#N |
| PubChem CID | 3418248 |
| Peso molecular | 351.34 |
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 | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Aniline and substituted anilines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Methoxyanilines |
| Alternative Parents | Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Pyrimidones Fluorobenzenes Aryl fluorides Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Lactams Nitriles Azacyclic compounds Organic oxides Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Urea - Lactam - Azacycle - Organoheterocyclic compound - Ether - Nitrile - Carbonitrile - Organic nitrogen compound - Organohalogen compound - Organic oxide - Cyanide - Organofluoride - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as methoxyanilines. These are organic compound containing an aniline group substituted at one or more positions by a methoxy group. |
| External Descriptors | Not available |
| Peso molecular | 351.300 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 351.102 Da |
| Monoisotopic Mass | 351.102 Da |
| Topological Polar Surface Area | 73.600 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 625.000 |
| 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 |
