| CAS Number | 1214346-01-6 |
| Catalog Number | AG0014VI(AGN-PC-0WCY98) |
| Chemical Name | Methyl 5-Fluoro-2-Methoxyisonicotinate |
| IUPAC Name | methyl 5-fluoro-2-methoxypyridine-4-carboxylate |
| InChI | InChI=1S/C8H8FNO3/c1-12-7-3-5(8(11)13-2)6(9)4-10-7/h3-4H,1-2H3 |
| InChI Key | YILZFUOFJGGNCM-UHFFFAOYSA-N |
| MDL Number | MFCD14698161 |
| Molecular Formula | C8H8FNO3 |
| Molecular Weight | 185.1524 |
| SMILES | O=C(OC)C1=C(F)C=NC(OC)=C1 |
| Synonyms | Methyl 5-fluoro-2-methoxyisonicotinate,
1214346-01-6,
SCHEMBL12192175,
KS-00001BBV,
CS-D0441,
MFCD14698161,
ZINC47202622,
AS-32937,
methyl 5-fluoro-2-methoxypyridine-4-carboxylate,
4-Pyridinecarboxylic acid, 5-fluoro-2-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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