| CAS Number | 1707361-89-4 |
| Catalog Number | AG01FCSZ(AGN-PC-3H49NE) |
| Chemical Name | 2,6-Difluoro-3-trifluoroacetylpyridine |
| IUPAC Name | 1-(2,6-difluoropyridin-3-yl)-2,2,2-trifluoroethanone |
| InChI | InChI=1S/C7H2F5NO/c8-4-2-1-3(6(9)13-4)5(14)7(10,11)12/h1-2H |
| InChI Key | QMWQEMRCUROHKU-UHFFFAOYSA-N |
| MDL Number | MFCD26958716 |
| Molecular Formula | C7H2F5NO |
| Molecular Weight | 211.0889 |
| SMILES | Fc1ccc(c(n1)F)C(=O)C(F)(F)F |
| Synonyms | 2,6-Difluoro-3-trifluoroacetylpyridine,
1707361-89-4,
ZINC96024830,
AKOS027368031,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.091g/mol |
| Monoisotopic Mass | 211.006g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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