methyl 4-[5-(4-chloro-3-nitrophenyl)-1H-1,2,4-triazol-1-yl]benzoate
Chemical Structure Depiction of
methyl 4-[5-(4-chloro-3-nitrophenyl)-1H-1,2,4-triazol-1-yl]benzoate
methyl 4-[5-(4-chloro-3-nitrophenyl)-1H-1,2,4-triazol-1-yl]benzoate
Compound characteristics
| Compound ID: | 4073-0069 |
| Compound Name: | methyl 4-[5-(4-chloro-3-nitrophenyl)-1H-1,2,4-triazol-1-yl]benzoate |
| Molecular Weight: | 358.74 |
| Molecular Formula: | C16 H11 Cl N4 O4 |
| Smiles: | COC(c1ccc(cc1)n1c(c2ccc(c(c2)[N+]([O-])=O)[Cl])ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7651 |
| logD: | 3.7651 |
| logSw: | -4.2841 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.085 |
| InChI Key: | NBXXYLYSJQZCGD-UHFFFAOYSA-N |