| CAS Number | 883107-60-6 |
| Catalog Number | AG00H03J(AGN-PC-0VKND6) |
| Chemical Name | Ethyl 3-(5-bromopyridin-3-yl)-3-oxopropanoate |
| IUPAC Name | ethyl 3-(5-bromopyridin-3-yl)-3-oxopropanoate |
| InChI | InChI=1S/C10H10BrNO3/c1-2-15-10(14)4-9(13)7-3-8(11)6-12-5-7/h3,5-6H,2,4H2,1H3 |
| InChI Key | IXNOPBDYHDTNDI-UHFFFAOYSA-N |
| MDL Number | MFCD06410743 |
| Molecular Formula | C10H10BrNO3 |
| Molecular Weight | 272.0953 |
| SMILES | CCOC(CC(C1=CC(Br)=CN=C1)=O)=O |
| Synonyms | 883107-60-6,
ethyl 3-(5-bromopyridin-3-yl)-3-oxopropanoate,
5-Bromopyridine-3-beta-oxo-propanoic acid ethyl ester,
AC1MC7R6,
SCHEMBL1659844,
DTXSID70376704,
ZINC14982304,
AKOS017560334,
SC-40446,
FT-0708043,
5-bromopyridine-3-boxopropanoic acid ethyl ester,
A1-04901,
ETHYL 3-(5-BROMOPYRIDIN-3-YL) 3-OXOPROPANOATE,
CID2763056,
5-Bromopyridine-3-beta-oxo-propanoicacidethylester,
Ethyl 3-(5-bromopyridin-3-yl)-3-oxo-propanoate,
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| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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