3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
Chemical Structure Depiction of
3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
Compound characteristics
| Compound ID: | 8019-4483 |
| Compound Name: | 3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid |
| Molecular Weight: | 247.21 |
| Molecular Formula: | C11 H9 N3 O4 |
| Smiles: | C(c1cccc(c1)C(O)=O)n1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.61 |
| logD: | -1.7514 |
| logSw: | -1.6874 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.534 |
| InChI Key: | QDXCLKKKDQFNQR-UHFFFAOYSA-N |