4-methoxy-3-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]benzaldehyde
Chemical Structure Depiction of
4-methoxy-3-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]benzaldehyde
4-methoxy-3-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]benzaldehyde
Compound characteristics
| Compound ID: | 1981-1375 |
| Compound Name: | 4-methoxy-3-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]benzaldehyde |
| Molecular Weight: | 262.22 |
| Molecular Formula: | C11 H10 N4 O4 |
| Smiles: | COc1ccc(C=O)cc1Cn1cnc(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1487 |
| logD: | 1.1487 |
| logSw: | -2.0044 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.424 |
| InChI Key: | JIFQWYNLVVZWCK-UHFFFAOYSA-N |