≥97% 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 | COC1=C(C=C(C=C1)C2=NN(C=C2C=O)CC3=C(C=CC=C3Cl)F)OC |
|---|---|
| IUPAC Name | 1-[(2-chloro-6-fluorophenyl)methyl]-3-(3,4-dimethoxyphenyl)pyrazole-4-carbaldehyde |
| InChIKey | ZVHAIQMTDTWAAQ-UHFFFAOYSA-N |
| INCHI | 1S/C19H16ClFN2O3/c1-25-17-7-6-12(8-18(17)26-2)19-13(11-24)9-23(22-19)10-14-15(20)4-3-5-16(14)21/h3-9,11H,10H2,1-2H3 |
| Isómeros SMILES | COC1=C(C=C(C=C1)C2=NN(C=C2C=O)CC3=C(C=CC=C3Cl)F)OC |
| PubChem CID | 25218927 |
| Peso molecular | 374.8 |
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 |
| Clase | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrazoles |
| Alternative Parents | Dimethoxybenzenes Anisoles Phenoxy compounds Alkyl aryl ethers Aryl-aldehydes Chlorobenzenes Fluorobenzenes Aryl fluorides Aryl chlorides Heteroaromatic compounds Vinylogous amides Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpyrazole - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl-aldehyde - Aryl chloride - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Azacycle - Ether - Organic oxide - Organic nitrogen compound - Aldehyde - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 374.800 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 374.083 Da |
| Monoisotopic Mass | 374.083 Da |
| Topological Polar Surface Area | 53.400 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 472.000 |
| 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 |
