4-{[4-chloro-3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid
Chemical Structure Depiction of
4-{[4-chloro-3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid
4-{[4-chloro-3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid
Compound characteristics
| Compound ID: | Y503-2391 |
| Compound Name: | 4-{[4-chloro-3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid |
| Molecular Weight: | 336.67 |
| Molecular Formula: | C13 H9 Cl F4 N2 O2 |
| Smiles: | C(c1ccc(cc1)C(O)=O)n1c(C(F)F)c(c(C(F)F)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.3537 |
| logD: | 0.3822 |
| logSw: | -3.6595 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.151 |
| InChI Key: | NSGLLSIOBKKSHI-UHFFFAOYSA-N |