3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 4-bromobenzoate
Chemical Structure Depiction of
3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 4-bromobenzoate
3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 4-bromobenzoate
Compound characteristics
| Compound ID: | 4358-3887 |
| Compound Name: | 3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 4-bromobenzoate |
| Molecular Weight: | 465.3 |
| Molecular Formula: | C24 H17 Br O5 |
| Smiles: | Cc1ccc(C)c(c1)OC1=COc2cc(ccc2C1=O)OC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.0472 |
| logD: | 6.0472 |
| logSw: | -5.5587 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.034 |
| InChI Key: | ZXCRJDRBDKRPGP-UHFFFAOYSA-N |