3-nitro-5-[3-(3-nitrophenyl)triaz-2-en-1-yl]benzoic acid
Chemical Structure Depiction of
3-nitro-5-[3-(3-nitrophenyl)triaz-2-en-1-yl]benzoic acid
3-nitro-5-[3-(3-nitrophenyl)triaz-2-en-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 0527-0194 |
| Compound Name: | 3-nitro-5-[3-(3-nitrophenyl)triaz-2-en-1-yl]benzoic acid |
| Molecular Weight: | 331.24 |
| Molecular Formula: | C13 H9 N5 O6 |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)/N=N/Nc1cc(cc(c1)[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5288 |
| logD: | 0.0213 |
| logSw: | -3.5629 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 128.898 |
| InChI Key: | OXLHMIURMJJYGM-UHFFFAOYSA-N |