| CAS Number | 1187189-41-8 |
| Catalog Number | AG019EWT(AGN-PC-0WG4BM) |
| Chemical Name | Ethyl 6-(4-bromo-3-formylphenoxy)-2-ethoxynicotinate |
| IUPAC Name | ethyl 6-(4-bromo-3-formylphenoxy)-2-ethoxypyridine-3-carboxylate |
| InChI | InChI=1S/C17H16BrNO5/c1-3-22-16-13(17(21)23-4-2)6-8-15(19-16)24-12-5-7-14(18)11(9-12)10-20/h5-10H,3-4H2,1-2H3 |
| InChI Key | FXNFHBBZWMZNFL-UHFFFAOYSA-N |
| MDL Number | MFCD30185084 |
| Molecular Formula | C17H16BrNO5 |
| Molecular Weight | 394.2166 |
| SMILES | CCOC(=O)c1ccc(Oc2ccc(Br)c(C=O)c2)nc1OCC |
| Synonyms | ethyl 6-(4-bromo-3-formylphenoxy)-2-ethoxynicotinate,
1187189-41-8,
SCHEMBL2532260,
MFCD30185084,
ZINC146964726,
CS-0037577,
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| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 393.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 394.221g/mol |
| Monoisotopic Mass | 393.021g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 74.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
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