| CAS Number | 954220-94-1 |
| Catalog Number | AG01FFZ8(AGN-PC-3H4AIL) |
| Chemical Name | Ethyl 3-(5-bromopyridin-2-yl)-3-oxopropanoate |
| IUPAC Name | ethyl 3-(5-bromopyridin-2-yl)-3-oxopropanoate |
| InChI | InChI=1S/C10H10BrNO3/c1-2-15-10(14)5-9(13)8-4-3-7(11)6-12-8/h3-4,6H,2,5H2,1H3 |
| InChI Key | HECLHZAXCKFFTD-UHFFFAOYSA-N |
| MDL Number | MFCD09756186 |
| Molecular Formula | C10H10BrNO3 |
| Molecular Weight | 272.0953 |
| SMILES | O=C(OCC)CC(C1=NC=C(Br)C=C1)=O |
| Synonyms | ZINC39957223,
ethyl 3-(5-bromopyridin-2-yl)-3-oxopropanoate,
A1-25158,
954220-94-1,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.98441g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.09g/mol |
| Monoisotopic Mass | 270.98441g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 56.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number