| CAS Number | 71046-13-4 |
| Catalog Number | AG00IC4S(AGN-PC-0OGYJJ) |
| Chemical Name | 1,1,1-Trifluoro-3-(6-methylpyridin-2-yl)propan-2-one |
| IUPAC Name | 1,1,1-trifluoro-3-(6-methylpyridin-2-yl)propan-2-one |
| InChI | InChI=1S/C9H8F3NO/c1-6-3-2-4-7(13-6)5-8(14)9(10,11)12/h2-4H,5H2,1H3 |
| InChI Key | UGEJSBDOIRHXAC-UHFFFAOYSA-N |
| MDL Number | MFCD28385218 |
| Molecular Formula | C9H8F3NO |
| Molecular Weight | 203.1611 |
| SMILES | FC(C(CC1=NC(=CC=C1)C)=O)(F)F |
| Synonyms | 71046-13-4,
1,1,1-TRIFLUORO-3-(6-METHYLPYRIDIN-2-YL)PROPAN-2-ONE,
ZINC196731784,
1-(6-Methyl-2-pyridyl)-3,3,3-trifluoro-2-propanone,
2-Propanone, 1,1,1-trifluoro-3-(6-methyl-2-pyridinyl)-,
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| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.164g/mol |
| Monoisotopic Mass | 203.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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