4-[(3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
Chemical Structure Depiction of
4-[(3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
4-[(3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
Compound characteristics
| Compound ID: | 6228-1266 |
| Compound Name: | 4-[(3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid |
| Molecular Weight: | 247.21 |
| Molecular Formula: | C11 H9 N3 O4 |
| Smiles: | C(c1ccc(cc1)C(O)=O)n1ccc(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.4264 |
| logD: | -1.5451 |
| logSw: | -1.889 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.88 |
| InChI Key: | DBMACUOANYJOMN-UHFFFAOYSA-N |