3-(3,5-dibromo-2-butoxyphenyl)prop-2-enoic acid
Chemical Structure Depiction of
3-(3,5-dibromo-2-butoxyphenyl)prop-2-enoic acid
3-(3,5-dibromo-2-butoxyphenyl)prop-2-enoic acid
Compound characteristics
| Compound ID: | Y507-3322 |
| Compound Name: | 3-(3,5-dibromo-2-butoxyphenyl)prop-2-enoic acid |
| Molecular Weight: | 378.06 |
| Molecular Formula: | C13 H14 Br2 O3 |
| Smiles: | CCCCOc1c(/C=C/C(O)=O)cc(cc1[Br])[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.1956 |
| logD: | 2.4018 |
| logSw: | -4.7829 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.213 |
| InChI Key: | JPSYSSOIGOZIHK-UHFFFAOYSA-N |