| CAS Number | 2140305-33-3 |
| Catalog Number | AG01EHC7 |
| Chemical Name | Ethyl 3-(4-bromopyridin-2-yl)-2-oxopropanoate |
| IUPAC Name | ethyl 3-(4-bromopyridin-2-yl)-2-oxopropanoate |
| InChI | InChI=1S/C10H10BrNO3/c1-2-15-10(14)9(13)6-8-5-7(11)3-4-12-8/h3-5H,2,6H2,1H3 |
| InChI Key | HAKXFZMKEKZFMA-UHFFFAOYSA-N |
| MDL Number | MFCD30834465 |
| Molecular Formula | C10H10BrNO3 |
| Molecular Weight | 272.0953 |
| SMILES | CCOC(=O)C(=O)Cc1cc(Br)ccn1 |
| Synonyms | Ethyl 3-(4-bromopyridin-2-yl)-2-oxopropanoate,
2140305-33-3,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.098g/mol |
| Monoisotopic Mass | 270.984g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 56.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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