| CAS Number | 663195-13-9 |
| Catalog Number | AG019YQ9 |
| Chemical Name | Ethyl 2-(5-bromo-2-oxo-1,2-dihydropyridin-1-yl)acetate |
| IUPAC Name | ethyl 2-(5-bromo-2-oxopyridin-1-yl)acetate |
| InChI | InChI=1S/C9H10BrNO3/c1-2-14-9(13)6-11-5-7(10)3-4-8(11)12/h3-5H,2,6H2,1H3 |
| InChI Key | PRUOYBJSVQRNCS-UHFFFAOYSA-N |
| MDL Number | MFCD00835594 |
| Molecular Formula | C9H10BrNO3 |
| Molecular Weight | 260.0846 |
| SMILES | CCOC(CN1C(=O)C=CC(Br)=C1)=O |
| Synonyms | ethyl 2-(5-bromo-2-oxo-1,2-dihydropyridin-1-yl)acetate,
663195-13-9,
ethyl 2-(5-bromo-2-oxopyridin-1(2H)-yl)acetate,
SCHEMBL118239,
1(2H)-Pyridineacetic acid, 5-bromo-2-oxo-, ethyl ester,
PRUOYBJSVQRNCS-UHFFFAOYSA-N,
ZINC20306990,
AKOS009015783,
MCULE-2989313307,
NE26107,
Z92377742,
|
| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.087g/mol |
| Monoisotopic Mass | 258.984g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number