3-methylbutyl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
3-methylbutyl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate
3-methylbutyl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 3650-0153 |
| Compound Name: | 3-methylbutyl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 339.18 |
| Molecular Formula: | C15 H15 Br O4 |
| Smiles: | CC(C)CCOC(C1=Cc2cc(ccc2OC1=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1271 |
| logD: | 4.1271 |
| logSw: | -4.2564 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.208 |
| InChI Key: | BIQIQHSJJFLYTK-UHFFFAOYSA-N |