2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl 4-bromobenzoate
Chemical Structure Depiction of
2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl 4-bromobenzoate
2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl 4-bromobenzoate
Compound characteristics
| Compound ID: | 3930-0169 |
| Compound Name: | 2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl 4-bromobenzoate |
| Molecular Weight: | 449.73 |
| Molecular Formula: | C21 H18 Br Cl O4 |
| Smiles: | CC1=C(C(C)(C)C(c2ccc(cc2)[Cl])OC1=O)OC(c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2315 |
| logD: | 6.2315 |
| logSw: | -6.4906 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.374 |
| InChI Key: | IKAZLGKWTWSIQA-SFHVURJKSA-N |