1-[(4-chloro-3,5-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | Y503-2353 |
| Compound Name: | 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 280.71 |
| Molecular Formula: | C13 H13 Cl N2 O3 |
| Smiles: | Cc1cc(cc(C)c1[Cl])OCn1ccc(C(O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.0048 |
| logD: | -0.1868 |
| logSw: | -3.106 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.01 |
| InChI Key: | GMLXPNBIOKEBMA-UHFFFAOYSA-N |