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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 | CCC1CC(N2C(=C(C=N2)C(=O)O)N1)C(F)(F)F |
|---|---|
| IUPAC Name | 5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid |
| InChIKey | LIDGVFDRTAXEDB-UHFFFAOYSA-N |
| INCHI | 1S/C10H12F3N3O2/c1-2-5-3-7(10(11,12)13)16-8(15-5)6(4-14-16)9(17)18/h4-5,7,15H,2-3H2,1H3,(H,17,18) |
| Isomeric SMILES | CCC1CC(N2C(=C(C=N2)C(=O)O)N1)C(F)(F)F |
| PubChem CID | 3145962 |
| Molecular Weight | 263.22 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 263.220 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 263.088 Da |
| Monoisotopic Mass | 263.088 Da |
| Topological Polar Surface Area | 67.200 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 337.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |