methyl 1-(4-nitrophenyl)-4,5-dihydro-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
methyl 1-(4-nitrophenyl)-4,5-dihydro-1H-1,2,3-triazole-4-carboxylate
methyl 1-(4-nitrophenyl)-4,5-dihydro-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8006-2723 |
| Compound Name: | methyl 1-(4-nitrophenyl)-4,5-dihydro-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 250.21 |
| Molecular Formula: | C10 H10 N4 O4 |
| Smiles: | COC(C1CN(c2ccc(cc2)[N+]([O-])=O)N=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7657 |
| logD: | 1.7657 |
| logSw: | -2.0641 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 83.18 |
| InChI Key: | SGEOZVGQACJWTP-SECBINFHSA-N |