4-[3-(3-nitrophenyl)triaz-2-en-1-yl]benzoic acid
Chemical Structure Depiction of
4-[3-(3-nitrophenyl)triaz-2-en-1-yl]benzoic acid
4-[3-(3-nitrophenyl)triaz-2-en-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 0527-0193 |
| Compound Name: | 4-[3-(3-nitrophenyl)triaz-2-en-1-yl]benzoic acid |
| Molecular Weight: | 286.24 |
| Molecular Formula: | C13 H10 N4 O4 |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)/N=N/Nc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2081 |
| logD: | 0.8129 |
| logSw: | -3.4318 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.517 |
| InChI Key: | IERAOTYVRHXGMG-UHFFFAOYSA-N |