1-[(2,6-dichlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-[(2,6-dichlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid
1-[(2,6-dichlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | Y503-2332 |
| Compound Name: | 1-[(2,6-dichlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 287.1 |
| Molecular Formula: | C11 H8 Cl2 N2 O3 |
| Smiles: | C(n1ccc(C(O)=O)n1)Oc1c(cccc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.4226 |
| logD: | -0.769 |
| logSw: | -2.6694 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.183 |
| InChI Key: | AKLRTVPIUOCIJB-UHFFFAOYSA-N |