methyl 1-bromo-3,4,6-trihydroxy-2-methoxy-5-oxo-5H-benzo[7]annulene-8-carboxylate
Chemical Structure Depiction of
methyl 1-bromo-3,4,6-trihydroxy-2-methoxy-5-oxo-5H-benzo[7]annulene-8-carboxylate
methyl 1-bromo-3,4,6-trihydroxy-2-methoxy-5-oxo-5H-benzo[7]annulene-8-carboxylate
Compound characteristics
| Compound ID: | 8018-4487 |
| Compound Name: | methyl 1-bromo-3,4,6-trihydroxy-2-methoxy-5-oxo-5H-benzo[7]annulene-8-carboxylate |
| Molecular Weight: | 371.14 |
| Molecular Formula: | C14 H11 Br O7 |
| Smiles: | COC(C1=Cc2c(C(C(=C1)O)=O)c(c(c(c2[Br])OC)O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3016 |
| logD: | 1.9016 |
| logSw: | -1.8833 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.33 |
| InChI Key: | QQGZULZSKKXXMQ-UHFFFAOYSA-N |