≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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=CC2=C(C=C1OC(F)(F)F)NN=C2C(=O)O |
|---|---|
| IUPAC Name | 6-(trifluoromethoxy)-1H-indazole-3-carboxylic acid |
| InChIKey | DBSBRTKNVSHDMD-UHFFFAOYSA-N |
| INCHI | 1S/C9H5F3N2O3/c10-9(11,12)17-4-1-2-5-6(3-4)13-14-7(5)8(15)16/h1-3H,(H,13,14)(H,15,16) |
| Isomeric SMILES | C1=CC2=C(C=C1OC(F)(F)F)NN=C2C(=O)O |
| PubChem CID | 29921548 |
| Molecular Weight | 246.15 |
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 |
| Class | Benzopyrazoles |
| Subclass | Indazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indazoles |
| Alternative Parents | Pyrazole carboxylic acids and derivatives Phenol ethers Heteroaromatic compounds Trihalomethanes Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzopyrazole - Indazole - Phenol ether - Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Trihalomethane - Carboxylic acid - Carboxylic acid derivative - Azacycle - Alkyl halide - Halomethane - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl fluoride - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2519409 | Certificate of Analysis | Oct 18, 2024 | T342421 |
| C2519410 | Certificate of Analysis | Oct 18, 2024 | T342421 |
| C2519411 | Certificate of Analysis | Oct 18, 2024 | T342421 |
| C2519454 | Certificate of Analysis | Oct 18, 2024 | T342421 |
| C2519482 | Certificate of Analysis | Oct 18, 2024 | T342421 |
| C2519483 | Certificate of Analysis | Oct 18, 2024 | T342421 |
| Molecular Weight | 246.140 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 246.025 Da |
| Monoisotopic Mass | 246.025 Da |
| Topological Polar Surface Area | 75.200 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 310.000 |
| 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 |
