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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 | CN1C=C(C(=N1)C(F)(F)F)N.Cl |
|---|---|
| IUPAC Name | 1-methyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride |
| InChIKey | FQFXBDZFVVMWJK-UHFFFAOYSA-N |
| INCHI | 1S/C5H6F3N3.ClH/c1-11-2-3(9)4(10-11)5(6,7)8;/h2H,9H2,1H3;1H |
| Isomeric SMILES | CN1C=C(C(=N1)C(F)(F)F)N.Cl |
| PubChem CID | 75480753 |
| Molecular Weight | 201.57 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 201.580 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 201.028 Da |
| Monoisotopic Mass | 201.028 Da |
| Topological Polar Surface Area | 43.800 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 146.000 |
| 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 | 2 |