| CAS Number | 1446509-52-9 |
| Catalog Number | AG01FOIM(AGN-PC-0WCLAN) |
| Chemical Name | Methyl 3-fluoro-6-(trifluoromethyl)picolinate |
| IUPAC Name | methyl 3-fluoro-6-(trifluoromethyl)pyridine-2-carboxylate |
| InChI | InChI=1S/C8H5F4NO2/c1-15-7(14)6-4(9)2-3-5(13-6)8(10,11)12/h2-3H,1H3 |
| InChI Key | VHDWTPBBKCJCIF-UHFFFAOYSA-N |
| Molecular Formula | C8H5F4NO2 |
| Molecular Weight | 223.1244 |
| SMILES | COC(=O)C1=C(C=CC(=N1)C(F)(F)F)F |
| Synonyms | methyl 3-fluoro-6-(trifluoromethyl)picolinate,
1446509-52-9,
AKOS030233426,
ZINC263624932,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.127g/mol |
| Monoisotopic Mass | 223.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number