[2-bromo-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-6-methoxyphenoxy]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-methoxyphenoxy]acetic acid
[2-bromo-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-6-methoxyphenoxy]acetic acid
Compound characteristics
| Compound ID: | 6134-4255 |
| Compound Name: | [2-bromo-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-6-methoxyphenoxy]acetic acid |
| Molecular Weight: | 477.31 |
| Molecular Formula: | C22 H21 Br O7 |
| Smiles: | COc1cc(cc(c1OCC(O)=O)[Br])C1C2=C(CCCC2=O)OC2CCCC(C1=2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9036 |
| logD: | -1.3333 |
| logSw: | -3.1075 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.084 |
| InChI Key: | QISSGVLDUYTUOO-UHFFFAOYSA-N |