| CAS Number | 1506745-64-7 |
| Catalog Number | AG01BDWJ |
| Chemical Name | 2-(propan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid |
| IUPAC Name | 2-propan-2-yloxy-6-(trifluoromethyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C10H10F3NO3/c1-5(2)17-8-6(9(15)16)3-4-7(14-8)10(11,12)13/h3-5H,1-2H3,(H,15,16) |
| InChI Key | LPTFRCQWMJZSCV-UHFFFAOYSA-N |
| MDL Number | MFCD23356360 |
| Molecular Formula | C10H10F3NO3 |
| Molecular Weight | 249.1865 |
| SMILES | CC(OC1=C(C(O)=O)C=CC(C(F)(F)F)=N1)C |
| Synonyms | 2-(propan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid,
1506745-64-7,
ZINC94338217,
AKOS018436716,
MCULE-5556542314,
NE44722,
Z1849005129,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.189g/mol |
| Monoisotopic Mass | 249.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number