| CAS Number | 1505575-72-3 |
| Catalog Number | AG01BDEN |
| Chemical Name | 2-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid |
| IUPAC Name | 2-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C9H5F6NO3/c10-8(11,12)3-19-6-4(7(17)18)1-2-5(16-6)9(13,14)15/h1-2H,3H2,(H,17,18) |
| InChI Key | WXSOPTBPJOTNBP-UHFFFAOYSA-N |
| MDL Number | MFCD22888788 |
| Molecular Formula | C9H5F6NO3 |
| Molecular Weight | 289.1313 |
| SMILES | OC(C1=C(OCC(F)(F)F)N=C(C(F)(F)F)C=C1)=O |
| Synonyms | 2-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid,
1505575-72-3,
ZINC94338191,
AKOS018436647,
NE54491,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.133g/mol |
| Monoisotopic Mass | 289.017g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Lot Number