2-(3,5-dimethyl-1H-pyrazole-1-carbonyl)-3-nitrobenzoic acid
Chemical Structure Depiction of
2-(3,5-dimethyl-1H-pyrazole-1-carbonyl)-3-nitrobenzoic acid
2-(3,5-dimethyl-1H-pyrazole-1-carbonyl)-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | 8007-0777 |
| Compound Name: | 2-(3,5-dimethyl-1H-pyrazole-1-carbonyl)-3-nitrobenzoic acid |
| Molecular Weight: | 289.24 |
| Molecular Formula: | C13 H11 N3 O5 |
| Smiles: | Cc1cc(C)n(C(c2c(cccc2[N+]([O-])=O)C(O)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.9561 |
| logD: | -4.736 |
| logSw: | -2.1408 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.795 |
| InChI Key: | MDXMVQLISGFXMR-UHFFFAOYSA-N |