4-(5-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid
Chemical Structure Depiction of
4-(5-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid
4-(5-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid
Compound characteristics
| Compound ID: | Y508-0935 |
| Compound Name: | 4-(5-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid |
| Molecular Weight: | 396.19 |
| Molecular Formula: | C19 H10 Br N O4 |
| Smiles: | c1cc2C(N(C(c3cc(cc(c1)c23)[Br])=O)c1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9567 |
| logD: | 1.5615 |
| logSw: | -4.2572 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.65 |
| InChI Key: | GJZSWALQBJAEBT-UHFFFAOYSA-N |