| CAS Number | 86324-52-9 |
| Catalog Number | AG00IE0D(AGN-PC-045D0X) |
| Chemical Name | Methyl 6-fluoroquinoline-2-carboxylate |
| IUPAC Name | methyl 6-fluoroquinoline-2-carboxylate |
| InChI | InChI=1S/C11H8FNO2/c1-15-11(14)10-4-2-7-6-8(12)3-5-9(7)13-10/h2-6H,1H3 |
| InChI Key | BFAKRTGHOHSYIL-UHFFFAOYSA-N |
| MDL Number | MFCD19286052 |
| Molecular Formula | C11H8FNO2 |
| Molecular Weight | 205.1851 |
| SMILES | COC(=O)c1ccc2c(n1)ccc(c2)F |
| Synonyms | Methyl 6-fluoroquinoline-2-carboxylate,
86324-52-9,
SCHEMBL14339761,
DTXSID90635002,
ZINC62569258,
AKOS022173828,
FCH1709097,
BBV-45135243,
AJ-114161,
AX8259722,
6-Fluoro-2-quinolinecarboxylic acid methyl ester,
2-Quinolinecarboxylic acid, 6-fluoro-, methyl ester,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.188g/mol |
| Monoisotopic Mass | 205.054g/mol |
| Rotatable Bond Count | 2 |
| 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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