≥90% 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.
| Sonrisas canónicas | CC1=CC(=NC(=N1)N2C=C(N=N2)C(=O)C3=CC=C(C=C3)OC)C(F)(F)F |
|---|---|
| IUPAC Name | (4-methoxyphenyl)-[1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]triazol-4-yl]methanone |
| InChIKey | GXZVYSGUSPLIMH-UHFFFAOYSA-N |
| INCHI | 1S/C16H12F3N5O2/c1-9-7-13(16(17,18)19)21-15(20-9)24-8-12(22-23-24)14(25)10-3-5-11(26-2)6-4-10/h3-8H,1-2H3 |
| Isómeros SMILES | CC1=CC(=NC(=N1)N2C=C(N=N2)C(=O)C3=CC=C(C=C3)OC)C(F)(F)F |
| PubChem CID | 3845874 |
| Peso molecular | 363.3 |
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 | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Aryl-phenylketones |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Vinylogous amides Triazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl-phenylketone - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - 1,2,3-triazole - Heteroaromatic compound - Azole - Vinylogous amide - Ether - Organoheterocyclic compound - Azacycle - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 363.290 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 363.094 Da |
| Monoisotopic Mass | 363.094 Da |
| Topological Polar Surface Area | 82.800 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 499.000 |
| 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 |
![(4-methoxyphenyl){1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}methanone - ≥90% , CAS No.861207-84-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)