[2-bromo-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-6-ethoxyphenoxy]acetic acid
Chemical Structure Depiction of
[2-bromo-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-6-ethoxyphenoxy]acetic acid
[2-bromo-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-6-ethoxyphenoxy]acetic acid
Compound characteristics
| Compound ID: | 6134-4273 |
| Compound Name: | [2-bromo-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-6-ethoxyphenoxy]acetic acid |
| Molecular Weight: | 491.33 |
| Molecular Formula: | C23 H23 Br O7 |
| Smiles: | CCOc1cc(cc(c1OCC(O)=O)[Br])C1C2=C(CCCC2=O)OC2CCCC(C1=2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1786 |
| logD: | -1.0584 |
| logSw: | -3.3519 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.664 |
| InChI Key: | LFIAZWYEJLQCRY-UHFFFAOYSA-N |