2-(2H-benzotriazol-2-yl)-4-methylphenyl 2-methyl-3,5-dinitrobenzoate
Chemical Structure Depiction of
2-(2H-benzotriazol-2-yl)-4-methylphenyl 2-methyl-3,5-dinitrobenzoate
2-(2H-benzotriazol-2-yl)-4-methylphenyl 2-methyl-3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 8010-2631 |
| Compound Name: | 2-(2H-benzotriazol-2-yl)-4-methylphenyl 2-methyl-3,5-dinitrobenzoate |
| Molecular Weight: | 433.38 |
| Molecular Formula: | C21 H15 N5 O6 |
| Smiles: | Cc1ccc(c(c1)n1nc2ccccc2n1)OC(c1cc(cc(c1C)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0701 |
| logD: | 5.0701 |
| logSw: | -4.8638 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 110.898 |
| InChI Key: | RWNSISXTKXKNLX-UHFFFAOYSA-N |