3-bromo-1-(2,2-difluoroethyl)-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-bromo-1-(2,2-difluoroethyl)-1H-pyrazole-4-carboxylic acid
3-bromo-1-(2,2-difluoroethyl)-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y507-1294 |
| Compound Name: | 3-bromo-1-(2,2-difluoroethyl)-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 255.01 |
| Molecular Formula: | C6 H5 Br F2 N2 O2 |
| Smiles: | C(C(F)F)n1cc(C(O)=O)c(n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.0847 |
| logD: | -3.0028 |
| logSw: | -1.5297 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.32 |
| InChI Key: | XFIBCUUUDBATGD-UHFFFAOYSA-N |