≥95% 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.
| Canonical Smiles | COC1=CC=CC(=C1O)C2=NN=C3N2C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5Cl |
|---|---|
| IUPAC Name | 4-[(2-chlorophenyl)methyl]-1-(2-hydroxy-3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one |
| InChIKey | MUHNHVCFKYIXPU-UHFFFAOYSA-N |
| INCHI | 1S/C23H17ClN4O3/c1-31-19-12-6-9-16(20(19)29)21-25-26-23-27(13-14-7-2-4-10-17(14)24)22(30)15-8-3-5-11-18(15)28(21)23/h2-12,29H,13H2,1H3 |
| Isomeric SMILES | COC1=CC=CC(=C1O)C2=NN=C3N2C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5Cl |
| PubChem CID | 135546931 |
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 |
| Class | Azoles |
| Subclass | Triazoles |
| Intermediate Tree Nodes | Phenyltriazoles |
| Direct Parent | Phenyl-1,2,4-triazoles |
| Alternative Parents | Methoxyphenols Quinazolines Triazolopyrimidines Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Chlorobenzenes 1-hydroxy-4-unsubstituted benzenoids Pyrimidones Aryl chlorides Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organic anions |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenyl-1,2,4-triazole - Methoxyphenol - Quinazoline - Triazolopyrimidine - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Aryl halide - Benzenoid - Aryl chloride - Vinylogous amide - Heteroaromatic compound - Lactam - Azacycle - Ether - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic anion - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 432.900 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 432.099 Da |
| Monoisotopic Mass | 432.099 Da |
| Topological Polar Surface Area | 80.500 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 654.000 |
| 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-(2-Chlorobenzyl)-1-(2-hydroxy-3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one - ≥95% , CAS No.902891-37-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)