4H-1-Benzopyran-2-carboxylic acid, 8-bromo-6-methyl-4-oxo-, ethyl ester
ethyl 8-bromo-6-methyl-4-oxochromene-2-carboxylate
Also Known As: ethyl 8-bromo-6-methyl-4-oxochromene-2-carboxylate|4H-1-Benzopyran-2-carboxylic acid, 8-bromo-6-methyl-4-oxo-, ethyl ester|ethyl 8-bromo-6-methyl-4-oxo-4h-chromene-2-carboxylate|ETHYL 8-BROMO-6-METHYL-4-OXO-CHROMENE-2-CARBOXYLATE|5-18-08-00339 (Beilstein Handbook Reference)|Ethyl 8-bromo-6-methyl-4-oxo-4H-1-benzopyran-2-carboxylate|ethyl8-bromo-6-methyl-4-oxo-chromene-2-carboxylate|8-bromo-6-methyl-4-oxo-4H-chromene-2-carboxylic acid ethyl ester
| Molecular Formula | C13H11BrO4 |
|---|---|
| Molecular Weight | 309.98407 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.98407 |
| Monoisotopic Mass | 309.98407 |
| Heavy Atoms | 18 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 5463-80-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)C2=C(O1)C(=CC(=C2)C)Br |
| InChIKey | QMWCBNYGYPWUEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4H-1-Benzopyran-2-carboxylic acid, 8-bromo-6-methyl-4-oxo-, ethyl ester (CAS 5463-80-9), with molecular formula C13H11BrO4 and molecular weight 309.98407 g/mol. IUPAC: ethyl 8-bromo-6-methyl-4-oxochromene-2-carboxylate.