| CAS Number | 1343160-13-3 |
| Catalog Number | AG01BE2P(AGN-PC-0WOQ9V) |
| Chemical Name | methyl 3-(5-bromo-2-oxo-1,2-dihydropyridin-1-yl)-2-hydroxy-2-methylpropanoate |
| IUPAC Name | methyl 3-(5-bromo-2-oxopyridin-1-yl)-2-hydroxy-2-methylpropanoate |
| InChI | InChI=1S/C10H12BrNO4/c1-10(15,9(14)16-2)6-12-5-7(11)3-4-8(12)13/h3-5,15H,6H2,1-2H3 |
| InChI Key | MMOBEMHQWKYURJ-UHFFFAOYSA-N |
| MDL Number | MFCD20333404 |
| Molecular Formula | C10H12BrNO4 |
| Molecular Weight | 290.1106 |
| SMILES | COC(C(CN1C(=O)C=CC(Br)=C1)(O)C)=O |
| Synonyms | 1343160-13-3,
methyl 3-(5-bromo-2-oxo-1,2-dihydropyridin-1-yl)-2-hydroxy-2-methylpropanoate,
methyl 3-(5-bromo-2-oxopyridin-1(2H)-yl)-2-hydroxy-2-methylpropanoate,
AKOS013796150,
MCULE-8794888346,
NE28148,
BS-12445,
Z1860991926,
|
| Complexity | 377 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.113g/mol |
| Monoisotopic Mass | 288.995g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number