| CAS Number | 1443981-99-4 |
| Catalog Number | AG01A5K8 |
| Chemical Name | 2,2,2-trifluoro-N-(2-methylpyridin-4-yl)acetamide |
| IUPAC Name | 2,2,2-trifluoro-N-(2-methylpyridin-4-yl)acetamide |
| InChI | InChI=1S/C8H7F3N2O/c1-5-4-6(2-3-12-5)13-7(14)8(9,10)11/h2-4H,1H3,(H,12,13,14) |
| InChI Key | ZVVKBSQHKXBSJF-UHFFFAOYSA-N |
| MDL Number | MFCD21643709 |
| Molecular Formula | C8H7F3N2O |
| Molecular Weight | 204.1492 |
| SMILES | CC1=NC=CC(NC(C(F)(F)F)=O)=C1 |
| Synonyms | 2,2,2-trifluoro-N-(2-methylpyridin-4-yl)acetamide,
1443981-99-4,
ZINC75284826,
AKOS016620393,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.152g/mol |
| Monoisotopic Mass | 204.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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