| CAS Number | 1346691-66-4 |
| Catalog Number | AG009WSP(AGN-PC-0WNRD1) |
| Chemical Name | Methyl 5-(2,4-difluorophenyl)pyridine-3-carboxylate |
| IUPAC Name | methyl 5-(2,4-difluorophenyl)pyridine-3-carboxylate |
| InChI | InChI=1S/C13H9F2NO2/c1-18-13(17)9-4-8(6-16-7-9)11-3-2-10(14)5-12(11)15/h2-7H,1H3 |
| InChI Key | BZTJGSHWKXFZMA-UHFFFAOYSA-N |
| MDL Number | MFCD19704379 |
| Molecular Formula | C13H9F2NO2 |
| Molecular Weight | 249.2129 |
| SMILES | COC(=O)c1cncc(c1)c1ccc(cc1F)F |
| Synonyms | Methyl 5-(2,4-difluorophenyl)nicotinate,
1346691-66-4,
methyl 5-(2,4-difluorophenyl)pyridine-3-carboxylate,
DTXSID30745270,
ZINC91351975,
AKOS016845582,
AJ-130658,
AX8255982,
Z9818,
C13H9F2NO2,
Methyl5-(2,4-difluorophenyl)nicotinate,
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| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.217g/mol |
| Monoisotopic Mass | 249.06g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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