2-(4-iodophenyl)-2-oxoethyl 2-oxo-2H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
2-(4-iodophenyl)-2-oxoethyl 2-oxo-2H-1-benzopyran-3-carboxylate
2-(4-iodophenyl)-2-oxoethyl 2-oxo-2H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 8006-5292 |
| Compound Name: | 2-(4-iodophenyl)-2-oxoethyl 2-oxo-2H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 434.18 |
| Molecular Formula: | C18 H11 I O5 |
| Smiles: | C(C(c1ccc(cc1)I)=O)OC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8308 |
| logD: | 3.8308 |
| logSw: | -4.4044 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.265 |
| InChI Key: | IAUJIKRLYMKZAL-UHFFFAOYSA-N |