2-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
Chemical Structure Depiction of
2-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
2-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
Compound characteristics
| Compound ID: | Y503-2335 |
| Compound Name: | 2-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid |
| Molecular Weight: | 247.21 |
| Molecular Formula: | C11 H9 N3 O4 |
| Smiles: | C(c1ccccc1C(O)=O)n1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6453 |
| logD: | -1.8775 |
| logSw: | -2.2801 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.534 |
| InChI Key: | VZAQMWCFGKUZAB-UHFFFAOYSA-N |