2-(2H-benzotriazol-2-yl)-5-methylphenyl 3-nitrobenzoate
Chemical Structure Depiction of
2-(2H-benzotriazol-2-yl)-5-methylphenyl 3-nitrobenzoate
2-(2H-benzotriazol-2-yl)-5-methylphenyl 3-nitrobenzoate
Compound characteristics
| Compound ID: | 0584-0190 |
| Compound Name: | 2-(2H-benzotriazol-2-yl)-5-methylphenyl 3-nitrobenzoate |
| Molecular Weight: | 374.35 |
| Molecular Formula: | C20 H14 N4 O4 |
| Smiles: | Cc1ccc(c(c1)OC(c1cccc(c1)[N+]([O-])=O)=O)n1nc2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 4.7755 |
| logD: | 4.7755 |
| logSw: | -4.7702 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.818 |
| InChI Key: | DHXYVACGYBOKPU-UHFFFAOYSA-N |