| CAS Number | 1415819-90-7 |
| Catalog Number | AG009WYH(AGN-PC-0WAD8X) |
| Chemical Name | Ethyl 7-bromo-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate |
| IUPAC Name | ethyl 7-bromo-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate |
| InChI | InChI=1S/C12H12BrNO3/c1-2-17-12(16)9-5-7-3-4-8(13)6-10(7)14-11(9)15/h3-4,6,9H,2,5H2,1H3,(H,14,15) |
| InChI Key | MVXFSCSRUAJVRJ-UHFFFAOYSA-N |
| MDL Number | MFCD22586695 |
| Molecular Formula | C12H12BrNO3 |
| Molecular Weight | 298.1326 |
| SMILES | CCOC(=O)C1Cc2ccc(cc2NC1=O)Br |
| Synonyms | ETHYL 7-BROMO-2-OXO-3,4-DIHYDRO-1H-QUINOLINE-3-CARBOXYLATE,
1415819-90-7,
SCHEMBL17049229,
KM5588,
V3118,
C12H12BrNO3,
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| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.136g/mol |
| Monoisotopic Mass | 297g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number