4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid
Chemical Structure Depiction of
4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid
4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 5782-1272 |
| Compound Name: | 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid |
| Molecular Weight: | 431.08 |
| Molecular Formula: | C15 H13 Br2 N O4 |
| Smiles: | C1C2C(CC(C1[Br])[Br])C(N(C2=O)c1ccc(cc1)C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6588 |
| logD: | 0.2636 |
| logSw: | -2.9819 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.48 |
| InChI Key: | PESPVOFYLHXLOG-UHFFFAOYSA-N |