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≥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 | CC(C)(C)OC(=O)N1CCC(CC1)N2C(=C(C=N2)Br)C(F)(F)F |
|---|---|
| IUPAC Name | tert-butyl 4-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate |
| InChIKey | FULWUZYGUVXZLL-UHFFFAOYSA-N |
| INCHI | 1S/C14H19BrF3N3O2/c1-13(2,3)23-12(22)20-6-4-9(5-7-20)21-11(14(16,17)18)10(15)8-19-21/h8-9H,4-7H2,1-3H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CCC(CC1)N2C(=C(C=N2)Br)C(F)(F)F |
| PubChem CID | 75464923 |
| Molecular Weight | 398.22 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 398.220 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 397.061 Da |
| Monoisotopic Mass | 397.061 Da |
| Topological Polar Surface Area | 47.400 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 434.000 |
| 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 |