3-[(4-bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione
Chemical Structure Depiction of
3-[(4-bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione
3-[(4-bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione
Compound characteristics
| Compound ID: | 8012-7437 |
| Compound Name: | 3-[(4-bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione |
| Molecular Weight: | 435.74 |
| Molecular Formula: | C21 H20 Br Cl O3 |
| Smiles: | CC1(C)C(c2ccc(cc2)[Cl])OC(C(C)(Cc2ccc(cc2)[Br])C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3003 |
| logD: | 6.3003 |
| logSw: | -6.451 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.553 |
| InChI Key: | BYYFUQKQRQJWGX-UHFFFAOYSA-N |