4-({4-bromo-2-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenoxy}methyl)benzoic acid
Chemical Structure Depiction of
4-({4-bromo-2-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenoxy}methyl)benzoic acid
4-({4-bromo-2-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenoxy}methyl)benzoic acid
Compound characteristics
| Compound ID: | 6332-1297 |
| Compound Name: | 4-({4-bromo-2-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenoxy}methyl)benzoic acid |
| Molecular Weight: | 463.28 |
| Molecular Formula: | C24 H15 Br O5 |
| Smiles: | C(c1ccc(cc1)C(O)=O)Oc1ccc(cc1C=C1C(c2ccccc2C1=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.6784 |
| logD: | 2.7069 |
| logSw: | -5.6817 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.269 |
| InChI Key: | IWHFDSJSNVUGRQ-UHFFFAOYSA-N |