4-chloro-1-(phenoxymethyl)-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
4-chloro-1-(phenoxymethyl)-1H-pyrazole-3-carboxylic acid
4-chloro-1-(phenoxymethyl)-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | Y504-8745 |
| Compound Name: | 4-chloro-1-(phenoxymethyl)-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 252.65 |
| Molecular Formula: | C11 H9 Cl N2 O3 |
| Smiles: | C(n1cc(c(C(O)=O)n1)[Cl])Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.835 |
| logD: | -2.2741 |
| logSw: | -2.2414 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.673 |
| InChI Key: | QNVTUTLTDLRKSL-UHFFFAOYSA-N |