2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-methyl-4-nitrobenzoate
Chemical Structure Depiction of
2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-methyl-4-nitrobenzoate
2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-methyl-4-nitrobenzoate
Compound characteristics
| Compound ID: | 2202-0895 |
| Compound Name: | 2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-methyl-4-nitrobenzoate |
| Molecular Weight: | 388.38 |
| Molecular Formula: | C21 H16 N4 O4 |
| Smiles: | Cc1ccc(c(c1)n1nc2ccccc2n1)OC(c1ccc(c(C)c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2098 |
| logD: | 5.2098 |
| logSw: | -5.1267 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.517 |
| InChI Key: | JGDQQPPWAAPBNB-UHFFFAOYSA-N |