3-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid
3-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | R052-2719 |
| Compound Name: | 3-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 233.18 |
| Molecular Formula: | C10 H7 N3 O4 |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)c1c(c[nH]n1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9362 |
| logD: | -1.6785 |
| logSw: | -2.4596 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.218 |
| InChI Key: | HIHZVKRTUUSORZ-UHFFFAOYSA-N |