3-nitrobenzoic acid
Chemical Structure Depiction of
3-nitrobenzoic acid
3-nitrobenzoic acid
Compound characteristics
| Compound ID: | 0402-0191 |
| Compound Name: | 3-nitrobenzoic acid |
| Molecular Weight: | 167.12 |
| Molecular Formula: | C7 H5 N O4 |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9588 |
| logD: | -1.8567 |
| logSw: | -1.9353 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.028 |
| InChI Key: | AFPHTEQTJZKQAQ-UHFFFAOYSA-N |