2-(1,3-benzoxazol-2-yl)-4-nitrophenyl 2-cyanobenzene-1-sulfonate
Chemical Structure Depiction of
2-(1,3-benzoxazol-2-yl)-4-nitrophenyl 2-cyanobenzene-1-sulfonate
2-(1,3-benzoxazol-2-yl)-4-nitrophenyl 2-cyanobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V004-4943 |
| Compound Name: | 2-(1,3-benzoxazol-2-yl)-4-nitrophenyl 2-cyanobenzene-1-sulfonate |
| Molecular Weight: | 421.39 |
| Molecular Formula: | C20 H11 N3 O6 S |
| Smiles: | C(c1ccccc1S(=O)(=O)Oc1ccc(cc1c1nc2ccccc2o1)[N+]([O-])=O)#N |
| Stereo: | ACHIRAL |
| logP: | 3.7898 |
| logD: | 3.7898 |
| logSw: | -4.2605 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 103.335 |
| InChI Key: | ZIQDXCGQQCYVJX-UHFFFAOYSA-N |