4-chloro-1-[(4-methylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
4-chloro-1-[(4-methylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid
4-chloro-1-[(4-methylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | Y504-8795 |
| Compound Name: | 4-chloro-1-[(4-methylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 266.68 |
| Molecular Formula: | C12 H11 Cl N2 O3 |
| Smiles: | Cc1ccc(cc1)OCn1cc(c(C(O)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.2869 |
| logD: | -1.8222 |
| logSw: | -2.6449 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.673 |
| InChI Key: | RPAFUQOBPMDPOQ-UHFFFAOYSA-N |