2-nitro-6-{[(4H-1,2,4-triazol-3-yl)imino]methyl}phenol
Chemical Structure Depiction of
2-nitro-6-{[(4H-1,2,4-triazol-3-yl)imino]methyl}phenol
2-nitro-6-{[(4H-1,2,4-triazol-3-yl)imino]methyl}phenol
Compound characteristics
| Compound ID: | 1218-2152 |
| Compound Name: | 2-nitro-6-{[(4H-1,2,4-triazol-3-yl)imino]methyl}phenol |
| Molecular Weight: | 233.18 |
| Molecular Formula: | C9 H7 N5 O3 |
| Smiles: | C(\c1cccc(c1O)[N+]([O-])=O)=N/c1nnc[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 0.7355 |
| logD: | 0.0501 |
| logSw: | -1.8869 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.763 |
| InChI Key: | KHRPXHHAQYRBEP-ONNFQVAWSA-N |