4-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid
Chemical Structure Depiction of
4-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid
4-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 5782-1161 |
| Compound Name: | 4-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid |
| Molecular Weight: | 443.09 |
| Molecular Formula: | C16 H13 Br2 N O4 |
| Smiles: | C1C2C3C(C1C(C2[Br])[Br])C(N(C3=O)c1ccc(cc1)C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2817 |
| logD: | -0.1135 |
| logSw: | -2.5114 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.133 |
| InChI Key: | KXHQMAGGCJSUCQ-UHFFFAOYSA-N |