6-bromo-2,2'-dioxo-2H,2'H-[3,4'-bi-1-benzopyran]-7',8'-diyl diacetate
Chemical Structure Depiction of
6-bromo-2,2'-dioxo-2H,2'H-[3,4'-bi-1-benzopyran]-7',8'-diyl diacetate
6-bromo-2,2'-dioxo-2H,2'H-[3,4'-bi-1-benzopyran]-7',8'-diyl diacetate
Compound characteristics
| Compound ID: | Y041-3787 |
| Compound Name: | 6-bromo-2,2'-dioxo-2H,2'H-[3,4'-bi-1-benzopyran]-7',8'-diyl diacetate |
| Molecular Weight: | 485.24 |
| Molecular Formula: | C22 H13 Br O8 |
| Smiles: | CC(=O)Oc1ccc2C(=CC(=O)Oc2c1OC(C)=O)C1=Cc2cc(ccc2OC1=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.1455 |
| logD: | 3.1455 |
| logSw: | -3.3435 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 82.742 |
| InChI Key: | VPSYLUXAIZXMNN-UHFFFAOYSA-N |