| CAS Number | 1211525-32-4 |
| Catalog Number | AG01DV2J |
| Chemical Name | 5-Methoxy-2-(Trifluoromethyl)Pyridine-4-Carboxylic Acid |
| IUPAC Name | 5-methoxy-2-(trifluoromethyl)pyridine-4-carboxylic acid |
| InChI | InChI=1S/C8H6F3NO3/c1-15-5-3-12-6(8(9,10)11)2-4(5)7(13)14/h2-3H,1H3,(H,13,14) |
| InChI Key | KIQJUPGCYCBMJI-UHFFFAOYSA-N |
| MDL Number | MFCD18255469 |
| Molecular Formula | C8H6F3NO3 |
| Molecular Weight | 221.1333 |
| SMILES | COC=1C(=CC(=NC1)C(F)(F)F)C(=O)O |
| Synonyms | 1211525-32-4,
5-methoxy-2-(trifluoromethyl)pyridine-4-carboxylic acid,
SCHEMBL17009018,
AKOS034180434,
5-Methoxy-2-(trifluoromethyl)isonicotinic acid,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.135g/mol |
| Monoisotopic Mass | 221.03g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number