≥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 | C1=CC(=CC=C1OCN2C=C(C(=N2)C(=O)O)Cl)F |
|---|---|
| IUPAC Name | 4-chloro-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid |
| InChIKey | MHFVMDJIDYQZNY-UHFFFAOYSA-N |
| INCHI | 1S/C11H8ClFN2O3/c12-9-5-15(14-10(9)11(16)17)6-18-8-3-1-7(13)2-4-8/h1-5H,6H2,(H,16,17) |
| Isómeros SMILES | C1=CC(=CC=C1OCN2C=C(C(=N2)C(=O)O)Cl)F |
| PubChem CID | 7017348 |
| Peso molecular | 270.64 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazole carboxylic acids and derivatives |
| Alternative Parents | Phenoxy compounds Phenol ethers Fluorobenzenes Aryl fluorides Aryl chlorides Vinylogous halides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenoxy compound - Pyrazole-3-carboxylic acid or derivatives - Pyrazole-5-carboxylic acid or derivatives - Phenol ether - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organohalogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by a carboxylic acid group. |
| External Descriptors | Not available |
| Peso molecular | 270.640 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 270.021 Da |
| Monoisotopic Mass | 270.021 Da |
| Topological Polar Surface Area | 64.400 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 300.000 |
| 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-chloro-1-[(4-fluorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid - ≥97% , CAS No.1004194-23-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)