≥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=C(C=C(C=C1)N2C=C(N=N2)C(=O)C3=CC=C(C=C3)F)Cl |
|---|---|
| IUPAC Name | [1-(3-chloro-4-methylphenyl)triazol-4-yl]-(4-fluorophenyl)methanone |
| InChIKey | UYQVVTZPGDDAKK-UHFFFAOYSA-N |
| INCHI | 1S/C16H11ClFN3O/c1-10-2-7-13(8-14(10)17)21-9-15(19-20-21)16(22)11-3-5-12(18)6-4-11/h2-9H,1H3 |
| Isómeros SMILES | CC1=C(C=C(C=C1)N2C=C(N=N2)C(=O)C3=CC=C(C=C3)F)Cl |
| PubChem CID | 1480015 |
| Peso molecular | 315.73 |
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 | Phenyl-1,2,3-triazoles Benzoyl derivatives Toluenes Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl-phenylketone - Phenyltriazole - Phenyl-1,2,3-triazole - Benzoyl - Chlorobenzene - Fluorobenzene - Halobenzene - Toluene - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Aryl fluoride - Aryl halide - Heteroaromatic compound - Azole - Vinylogous amide - 1,2,3-triazole - Triazole - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Organochloride - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - 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 | 315.730 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 315.057 Da |
| Monoisotopic Mass | 315.057 Da |
| Topological Polar Surface Area | 47.800 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 403.000 |
| 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 |
methanone - ≥90% , CAS No.477847-87-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)