| CAS Number | 1256787-03-7 |
| Catalog Number | AG000OCN(AGN-PC-0WCYAP) |
| Chemical Name | 2-Pyridinecarboxylic acid, 3-fluoro-5-methoxy-, methyl ester |
| IUPAC Name | methyl 3-fluoro-5-methoxypyridine-2-carboxylate |
| InChI | InChI=1S/C8H8FNO3/c1-12-5-3-6(9)7(10-4-5)8(11)13-2/h3-4H,1-2H3 |
| InChI Key | KFHHZVJVEHZJFK-UHFFFAOYSA-N |
| MDL Number | MFCD18256599 |
| Molecular Formula | C8H8FNO3 |
| Molecular Weight | 185.1524 |
| SMILES | COC(C1=C(F)C=C(OC)C=N1)=O |
| Synonyms | METHYL 3-FLUORO-5-METHOXYPICOLINATE,
1256787-03-7,
SCHEMBL12248202,
DTXSID40729283,
MFCD18256599,
ZINC91692457,
AS-38896,
AB0078675,
X-2555,
methyl 3-fluoro-5-methoxypyridine-2-carboxylate,
2-Pyridinecarboxylic acid, 3-fluoro-5-methoxy-, methyl ester,
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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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.154g/mol |
| Monoisotopic Mass | 185.049g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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