| CAS Number | 67643-32-7 |
| Catalog Number | AG00649D |
| Chemical Name | 8-Bromo-4-hydroxy-6-methylquinoline-3-carboxylic acid ethyl ester |
| IUPAC Name | ethyl 8-bromo-6-methyl-4-oxo-1H-quinoline-3-carboxylate |
| InChI | InChI=1S/C13H12BrNO3/c1-3-18-13(17)9-6-15-11-8(12(9)16)4-7(2)5-10(11)14/h4-6H,3H2,1-2H3,(H,15,16) |
| InChI Key | PJWXOCIGKHQPCT-UHFFFAOYSA-N |
| MDL Number | MFCD12675000 |
| Molecular Formula | C13H12BrNO3 |
| Molecular Weight | 310.1433 |
| SMILES | BrC=1C=C(C=C2C(=C(C=NC12)C(=O)OCC)O)C |
| Synonyms | 67643-32-7,
8-Bromo-4-hydroxy-6-methylquinoline-3-carboxylic acid ethyl ester,
Ethyl 8-bromo-4-hydroxy-6-methylquinoline-3-carboxylate,
SCHEMBL19783662,
CTK8F7368,
DTXSID70497600,
MFCD12675000,
Ethyl 8-bromo-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate,
ethyl 8-bromo-6-methyl-4-oxo-1H-quinoline-3-carboxylate,
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| Complexity | 394 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.147g/mol |
| Monoisotopic Mass | 309g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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