| CAS Number | 1803848-64-7 |
| Catalog Number | AG01FM06(AGN-PC-3H5M50) |
| Chemical Name | 5-fluoro-2-(trifluoromethyl)pyridine-4-carbaldehyde |
| IUPAC Name | 5-fluoro-2-(trifluoromethyl)pyridine-4-carbaldehyde |
| InChI | InChI=1S/C7H3F4NO/c8-5-2-12-6(7(9,10)11)1-4(5)3-13/h1-3H |
| InChI Key | PJPFBGNFAVRCIB-UHFFFAOYSA-N |
| MDL Number | MFCD28795946 |
| Molecular Formula | C7H3F4NO |
| Molecular Weight | 193.0984 |
| SMILES | O=Cc1cc(ncc1F)C(F)(F)F |
| Synonyms | 5-Fluoro-2-(trifluoromethyl)isonicotinaldehyde,
5-fluoro-2-(trifluoromethyl)pyridine-4-carbaldehyde,
F2173-1277,
1803848-64-7,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.101g/mol |
| Monoisotopic Mass | 193.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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