| CAS Number | 67643-31-6 |
| Catalog Number | AG006M3F |
| Chemical Name | 6-Bromo-4-hydroxy-8-methylquinoline-3-carboxylic acid ethyl ester |
| IUPAC Name | ethyl 6-bromo-8-methyl-4-oxo-1H-quinoline-3-carboxylate |
| InChI | InChI=1S/C13H12BrNO3/c1-3-18-13(17)10-6-15-11-7(2)4-8(14)5-9(11)12(10)16/h4-6H,3H2,1-2H3,(H,15,16) |
| InChI Key | UZXMPANUBSTXKN-UHFFFAOYSA-N |
| MDL Number | MFCD12674977 |
| Molecular Formula | C13H12BrNO3 |
| Molecular Weight | 310.1433 |
| SMILES | CCOC(=O)c1c[nH]c2c(C)cc(Br)cc2c1=O |
| Synonyms | 67643-31-6,
ethyl 6-bromo-4-hydroxy-8-methylquinoline-3-carboxylate,
6-Bromo-4-hydroxy-8-methylquinoline-3-carboxylic acid ethyl ester,
SCHEMBL730189,
CTK8F7084,
DTXSID20497599,
UZXMPANUBSTXKN-UHFFFAOYSA-N,
MFCD12674977,
ZINC36075574,
AKOS005175396,
MCULE-3495472398,
FT-0710712,
ST51063085,
ethyl 6-bromo-4-hydroxy-8-methyl-3-quinolinecarboxylate,
Ethyl 6-bromo-8-methyl-4-oxo-1,4-dihydroquinoline-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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number