| CAS Number | 1211584-31-4 |
| Catalog Number | AG009YDT |
| Chemical Name | 5-Fluoro-3-(trifluoromethyl)picolinic acid |
| IUPAC Name | 5-fluoro-3-(trifluoromethyl)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C7H3F4NO2/c8-3-1-4(7(9,10)11)5(6(13)14)12-2-3/h1-2H,(H,13,14) |
| InChI Key | ATZASOVUCJTVCI-UHFFFAOYSA-N |
| MDL Number | MFCD18261331 |
| Molecular Formula | C7H3F4NO2 |
| Molecular Weight | 209.0978 |
| SMILES | FC=1C=C(C(=NC1)C(=O)O)C(F)(F)F |
| Synonyms | 5-fluoro-3-(trifluoromethyl)picolinic acid,
1211584-31-4,
MFCD18261331,
AKOS030632320,
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.1g/mol |
| Monoisotopic Mass | 209.01g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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