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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 | C1=CC(=CN=C1)CN=CC2=C(NNC2=O)C(F)(F)F |
|---|---|
| IUPAC Name | 4-(pyridin-3-ylmethyliminomethyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one |
| InChIKey | NCBFFUITHKDQTA-UHFFFAOYSA-N |
| INCHI | 1S/C11H9F3N4O/c12-11(13,14)9-8(10(19)18-17-9)6-16-5-7-2-1-3-15-4-7/h1-4,6H,5H2,(H2,17,18,19) |
| Isomeric SMILES | C1=CC(=CN=C1)CN=CC2=C(NNC2=O)C(F)(F)F |
| PubChem CID | 3835438 |
| Molecular Weight | 270.21 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 270.210 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 270.073 Da |
| Monoisotopic Mass | 270.073 Da |
| Topological Polar Surface Area | 66.400 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 417.000 |
| 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 |