3-(2H-benzotriazol-2-yl)-4-methylphenyl 3,5-dinitrobenzoate
Chemical Structure Depiction of
3-(2H-benzotriazol-2-yl)-4-methylphenyl 3,5-dinitrobenzoate
3-(2H-benzotriazol-2-yl)-4-methylphenyl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 8006-0165 |
| Compound Name: | 3-(2H-benzotriazol-2-yl)-4-methylphenyl 3,5-dinitrobenzoate |
| Molecular Weight: | 419.35 |
| Molecular Formula: | C20 H13 N5 O6 |
| Smiles: | Cc1ccc(cc1n1nc2ccccc2n1)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8681 |
| logD: | 4.8681 |
| logSw: | -4.7793 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 111.113 |
| InChI Key: | QCGPPICSUVQXOF-UHFFFAOYSA-N |