1-[(4-chlorophenyl)methyl]-3-nitro-1H-1,2,4-triazole
Chemical Structure Depiction of
1-[(4-chlorophenyl)methyl]-3-nitro-1H-1,2,4-triazole
1-[(4-chlorophenyl)methyl]-3-nitro-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y501-9789 |
| Compound Name: | 1-[(4-chlorophenyl)methyl]-3-nitro-1H-1,2,4-triazole |
| Molecular Weight: | 238.63 |
| Molecular Formula: | C9 H7 Cl N4 O2 |
| Smiles: | C(c1ccc(cc1)[Cl])n1cnc(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1486 |
| logD: | 2.1486 |
| logSw: | -2.5378 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.634 |
| InChI Key: | IMYZTYPCBUTFAM-UHFFFAOYSA-N |