| CAS Number | 953780-40-0 |
| Catalog Number | AG005S2N(AGN-PC-0WAE0B) |
| Chemical Name | Methyl 5-fluoro-6-methoxynicotinate |
| IUPAC Name | methyl 5-fluoro-6-methoxypyridine-3-carboxylate |
| InChI | InChI=1S/C8H8FNO3/c1-12-7-6(9)3-5(4-10-7)8(11)13-2/h3-4H,1-2H3 |
| InChI Key | HJBPCUZDKHCJRR-UHFFFAOYSA-N |
| MDL Number | MFCD14698157 |
| Molecular Formula | C8H8FNO3 |
| Molecular Weight | 185.1524 |
| SMILES | O=C(OC)C1=CN=C(OC)C(F)=C1 |
| Synonyms | Methyl 5-fluoro-6-methoxynicotinate,
953780-40-0,
AK128807,
SCHEMBL1063745,
HJBPCUZDKHCJRR-UHFFFAOYSA-N,
MFCD14698157,
ZINC47202616,
AKOS016000677,
DS-1609,
FCH1153406,
MP-0128,
AJ-110668,
AX8250869,
ST2419598,
4CH-012433,
CS-0061918,
Z5402,
Methyl 3-fluoro-2-methoxy-5-pyridinecarboxylate,
methyl 5-fluoro-6-methoxypyridine-3-carboxylate,
C8H8FNO3,
Methyl5-fluoro-6-methoxynicotinate,
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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
Lot Number