2-(4-bromophenyl)-2-oxoethyl [(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate
Chemical Structure Depiction of
2-(4-bromophenyl)-2-oxoethyl [(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate
2-(4-bromophenyl)-2-oxoethyl [(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate
Compound characteristics
| Compound ID: | 8006-2693 |
| Compound Name: | 2-(4-bromophenyl)-2-oxoethyl [(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate |
| Molecular Weight: | 431.24 |
| Molecular Formula: | C20 H15 Br O6 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OCC(=O)OCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2868 |
| logD: | 3.2868 |
| logSw: | -3.7237 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.654 |
| InChI Key: | LMTIRUBBEDWUNH-UHFFFAOYSA-N |