3-nitrophenyl 4-[(2-fluorophenyl)methanesulfonyl]-3-nitrobenzoate
Chemical Structure Depiction of
3-nitrophenyl 4-[(2-fluorophenyl)methanesulfonyl]-3-nitrobenzoate
3-nitrophenyl 4-[(2-fluorophenyl)methanesulfonyl]-3-nitrobenzoate
Compound characteristics
| Compound ID: | K781-2105 |
| Compound Name: | 3-nitrophenyl 4-[(2-fluorophenyl)methanesulfonyl]-3-nitrobenzoate |
| Molecular Weight: | 460.39 |
| Molecular Formula: | C20 H13 F N2 O8 S |
| Smiles: | C(c1ccccc1F)S(c1ccc(cc1[N+]([O-])=O)C(=O)Oc1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.409 |
| logD: | 4.409 |
| logSw: | -4.6237 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 115.843 |
| InChI Key: | ODDPDSKHHXOUTN-UHFFFAOYSA-N |