| CAS Number | 1227595-16-5 |
| Catalog Number | AG00HGXD(AGN-PC-0WCTGN) |
| Chemical Name | Methyl 2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylate |
| IUPAC Name | methyl 2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylate |
| InChI | InChI=1S/C9H8F3NO3/c1-15-7-3-5(8(14)16-2)6(4-13-7)9(10,11)12/h3-4H,1-2H3 |
| InChI Key | OFUWNFBUQBUQKY-UHFFFAOYSA-N |
| MDL Number | MFCD16611642 |
| Molecular Formula | C9H8F3NO3 |
| Molecular Weight | 235.1599 |
| SMILES | COc1ncc(c(c1)C(=O)OC)C(F)(F)F |
| Synonyms | methyl 2-methoxy-5-(trifluoromethyl)isonicotinate,
1227595-16-5,
ZINC260734799,
Methyl 2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylate,
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| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.162g/mol |
| Monoisotopic Mass | 235.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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