2-(1,3-benzoxazol-2-yl)-4-nitrophenyl propane-1-sulfonate
Chemical Structure Depiction of
2-(1,3-benzoxazol-2-yl)-4-nitrophenyl propane-1-sulfonate
2-(1,3-benzoxazol-2-yl)-4-nitrophenyl propane-1-sulfonate
Compound characteristics
| Compound ID: | V026-0886 |
| Compound Name: | 2-(1,3-benzoxazol-2-yl)-4-nitrophenyl propane-1-sulfonate |
| Molecular Weight: | 362.36 |
| Molecular Formula: | C16 H14 N2 O6 S |
| Salt: | not_available |
| Smiles: | CCCS(=O)(=O)Oc1ccc(cc1c1nc2ccccc2o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4967 |
| logD: | 3.4967 |
| logSw: | -3.8873 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.626 |
| InChI Key: | NNNNGTJTCCHYIA-UHFFFAOYSA-N |