3-[1-bromo-2-(4-chlorophenyl)-2-oxoethyl]-6-(4-bromophenyl)-3,5,5-trimethyloxane-2,4-dione
Chemical Structure Depiction of
3-[1-bromo-2-(4-chlorophenyl)-2-oxoethyl]-6-(4-bromophenyl)-3,5,5-trimethyloxane-2,4-dione
3-[1-bromo-2-(4-chlorophenyl)-2-oxoethyl]-6-(4-bromophenyl)-3,5,5-trimethyloxane-2,4-dione
Compound characteristics
| Compound ID: | 8013-0553 |
| Compound Name: | 3-[1-bromo-2-(4-chlorophenyl)-2-oxoethyl]-6-(4-bromophenyl)-3,5,5-trimethyloxane-2,4-dione |
| Molecular Weight: | 542.65 |
| Molecular Formula: | C22 H19 Br2 Cl O4 |
| Smiles: | CC1(C)C(c2ccc(cc2)[Br])OC(C(C)(C(C(c2ccc(cc2)[Cl])=O)[Br])C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.447 |
| logD: | 6.447 |
| logSw: | -6.5847 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.292 |
| InChI Key: | ADXWRPVULOFEOR-UHFFFAOYSA-N |