3-{3,5-dibromo-4-[(propan-2-yl)oxy]phenyl}prop-2-enoic acid
Chemical Structure Depiction of
3-{3,5-dibromo-4-[(propan-2-yl)oxy]phenyl}prop-2-enoic acid
3-{3,5-dibromo-4-[(propan-2-yl)oxy]phenyl}prop-2-enoic acid
Compound characteristics
| Compound ID: | Y507-3326 |
| Compound Name: | 3-{3,5-dibromo-4-[(propan-2-yl)oxy]phenyl}prop-2-enoic acid |
| Molecular Weight: | 364.03 |
| Molecular Formula: | C12 H12 Br2 O3 |
| Smiles: | CC(C)Oc1c(cc(/C=C/C(O)=O)cc1[Br])[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.0189 |
| logD: | 0.8282 |
| logSw: | -4.0448 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.598 |
| InChI Key: | QHPSMOMFVVXVFT-UHFFFAOYSA-N |