4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 2-bromobenzoate
Chemical Structure Depiction of
4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 2-bromobenzoate
4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 2-bromobenzoate
Compound characteristics
| Compound ID: | 5503-0067 |
| Compound Name: | 4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 2-bromobenzoate |
| Molecular Weight: | 385.21 |
| Molecular Formula: | C19 H13 Br O4 |
| Smiles: | C1CC2=C(C1)c1ccc(cc1OC2=O)OC(c1ccccc1[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9659 |
| logD: | 3.9659 |
| logSw: | -4.2729 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.825 |
| InChI Key: | RQUYOPPXBSZIGW-UHFFFAOYSA-N |