Determine the necessary mass, volume, or concentration for preparing a solution.
≥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 |
|---|---|
| IUPAC Name | tert-butyl 4-[4-bromo-5-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate |
| InChIKey | IAXIOAZCBLVRHI-UHFFFAOYSA-N |
| INCHI | 1S/C14H20BrF2N3O2/c1-14(2,3)22-13(21)19-6-4-9(5-7-19)20-11(12(16)17)10(15)8-18-20/h8-9,12H,4-7H2,1-3H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CCC(CC1)N2C(=C(C=N2)Br)C(F)F |
| PubChem CID | 75464912 |
| Molecular Weight | 380.23 |
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 →| Molecular Weight | 380.230 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 379.071 Da |
| Monoisotopic Mass | 379.071 Da |
| Topological Polar Surface Area | 47.400 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 398.000 |
| 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 |