| CAS Number | 1339334-35-8 |
| Catalog Number | AG01BG3K(AGN-PC-0WOUEN) |
| Chemical Name | 1-(2-Oxopropyl)-5-(trifluoromethyl)-1,2-dihydropyridin-2-one |
| IUPAC Name | 1-(2-oxopropyl)-5-(trifluoromethyl)pyridin-2-one |
| InChI | InChI=1S/C9H8F3NO2/c1-6(14)4-13-5-7(9(10,11)12)2-3-8(13)15/h2-3,5H,4H2,1H3 |
| InChI Key | LRWDLCILKPDSMB-UHFFFAOYSA-N |
| MDL Number | MFCD18262548 |
| Molecular Formula | C9H8F3NO2 |
| Molecular Weight | 219.1605 |
| SMILES | CC(CN1C(=O)C=CC(C(F)(F)F)=C1)=O |
| Synonyms | 1-(2-oxopropyl)-5-(trifluoromethyl)-1,2-dihydropyridin-2-one,
1339334-35-8,
ZINC69198909,
AKOS008948943,
Z54902281,
|
| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.163g/mol |
| Monoisotopic Mass | 219.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number