| CAS Number | 1693994-53-4 |
| Catalog Number | AG01AC2P |
| Chemical Name | 2,2,2-trifluoro-N-(1-methyl-1H-pyrazol-5-yl)acetamide |
| IUPAC Name | 2,2,2-trifluoro-N-(2-methylpyrazol-3-yl)acetamide |
| InChI | InChI=1S/C6H6F3N3O/c1-12-4(2-3-10-12)11-5(13)6(7,8)9/h2-3H,1H3,(H,11,13) |
| InChI Key | UOSHAOVOJHBBRB-UHFFFAOYSA-N |
| MDL Number | MFCD26407842 |
| Molecular Formula | C6H6F3N3O |
| Molecular Weight | 193.1265 |
| SMILES | CN1C(NC(C(F)(F)F)=O)=CC=N1 |
| Synonyms | 2,2,2-trifluoro-N-(1-methyl-1H-pyrazol-5-yl)acetamide,
1693994-53-4,
SCHEMBL8016742,
ZINC82277834,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.129g/mol |
| Monoisotopic Mass | 193.046g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number