3-[5-(4-bromophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]-4-methylbenzoic acid
Chemical Structure Depiction of
3-[5-(4-bromophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]-4-methylbenzoic acid
3-[5-(4-bromophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]-4-methylbenzoic acid
Compound characteristics
| Compound ID: | 5871-1863 |
| Compound Name: | 3-[5-(4-bromophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]-4-methylbenzoic acid |
| Molecular Weight: | 452.26 |
| Molecular Formula: | C22 H14 Br N O5 |
| Smiles: | Cc1ccc(cc1N1C(c2ccc(cc2C1=O)Oc1ccc(cc1)[Br])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8593 |
| logD: | 3.5871 |
| logSw: | -5.4023 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.735 |
| InChI Key: | MKAIMXJXSJTVFM-UHFFFAOYSA-N |