Determine the necessary mass, volume, or concentration for preparing a solution.
≥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.
| Canonical Smiles | C1=CC(=CC(=C1)F)N2C(=C(C=N2)C(=O)O)C(F)(F)F |
|---|---|
| IUPAC Name | 1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid |
| InChIKey | DQFNNZACWHABEG-UHFFFAOYSA-N |
| INCHI | 1S/C11H6F4N2O2/c12-6-2-1-3-7(4-6)17-9(11(13,14)15)8(5-16-17)10(18)19/h1-5H,(H,18,19) |
| Isomeric SMILES | C1=CC(=CC(=C1)F)N2C(=C(C=N2)C(=O)O)C(F)(F)F |
| PubChem CID | 61551203 |
| Molecular Weight | 274.17 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 274.170 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 274.037 Da |
| Monoisotopic Mass | 274.037 Da |
| Topological Polar Surface Area | 55.100 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 350.000 |
| 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 |