4-nitro-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
4-nitro-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic acid
4-nitro-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | Y507-0679 |
| Compound Name: | 4-nitro-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 239.11 |
| Molecular Formula: | C6 H4 F3 N3 O4 |
| Smiles: | C(C(F)(F)F)n1cc(c(C(O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.251 |
| logD: | -4.6486 |
| logSw: | -0.7017 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.051 |
| InChI Key: | JYIYGHMDRUPKPM-UHFFFAOYSA-N |