≥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 | CN1C(=C(C(=O)N1C)C2=CC(=C(C=C2)F)Cl)C3=CC4=NC=CN=C4C=C3 |
|---|---|
| IUPAC Name | 4-(3-chloro-4-fluorophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one |
| InChIKey | VPQHRQIBJWLXGQ-UHFFFAOYSA-N |
| INCHI | 1S/C19H14ClFN4O/c1-24-18(12-4-6-15-16(10-12)23-8-7-22-15)17(19(26)25(24)2)11-3-5-14(21)13(20)9-11/h3-10H,1-2H3 |
| Molecular Weight | 368.800 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrazoles |
| Alternative Parents | Quinoxalines Chlorobenzenes Fluorobenzenes Pyrazolones Pyrazines Aryl chlorides Aryl fluorides Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpyrazole - Diazanaphthalene - Quinoxaline - Chlorobenzene - Fluorobenzene - Halobenzene - Benzenoid - Aryl halide - Pyrazolinone - Pyrazine - Monocyclic benzene moiety - Aryl chloride - Aryl fluoride - Heteroaromatic compound - Vinylogous amide - Lactam - Azacycle - Organopnictogen compound - Organochloride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 368.800 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 368.084 Da |
| Monoisotopic Mass | 368.084 Da |
| Topological Polar Surface Area | 49.300 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 600.000 |
| 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 |
