| CAS Number | 1809157-96-7 |
| Catalog Number | AG0022GI(AGN-PC-0WCYKH) |
| Chemical Name | 2-Ethoxy-5-fluoroisonicotinic acid |
| IUPAC Name | 2-ethoxy-5-fluoropyridine-4-carboxylic acid |
| InChI | InChI=1S/C8H8FNO3/c1-2-13-7-3-5(8(11)12)6(9)4-10-7/h3-4H,2H2,1H3,(H,11,12) |
| InChI Key | GYRJYVIAPHVUJC-UHFFFAOYSA-N |
| MDL Number | MFCD28133517 |
| Molecular Formula | C8H8FNO3 |
| Molecular Weight | 185.1524 |
| SMILES | O=C(O)C1=C(F)C=NC(OCC)=C1 |
| Synonyms | 2-Ethoxy-5-fluoroisonicotinic acid,
1809157-96-7,
MFCD28133517,
ZINC261507269,
CS-W000632,
AS-32979,
2-ethoxy-5-fluoropyridine-4-carboxylic acid,
4-Pyridinecarboxylic acid, 2-ethoxy-5-fluoro-,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.154g/mol |
| Monoisotopic Mass | 185.049g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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