{4-[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]-3-nitrophenyl}(4-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]-3-nitrophenyl}(4-nitrophenyl)methanone
{4-[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]-3-nitrophenyl}(4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | 2053-0187 |
| Compound Name: | {4-[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]-3-nitrophenyl}(4-nitrophenyl)methanone |
| Molecular Weight: | 495.45 |
| Molecular Formula: | C26 H17 N5 O6 |
| Smiles: | Cc1ccc(c(c1)n1nc2ccccc2n1)Oc1ccc(cc1[N+]([O-])=O)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2428 |
| logD: | 6.2428 |
| logSw: | -5.5504 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 110.822 |
| InChI Key: | YBCMCZCBTQSOFO-UHFFFAOYSA-N |