3,5-dinitrophenyl 4-formylbenzoate
Chemical Structure Depiction of
3,5-dinitrophenyl 4-formylbenzoate
3,5-dinitrophenyl 4-formylbenzoate
Compound characteristics
| Compound ID: | 0781-2507 |
| Compound Name: | 3,5-dinitrophenyl 4-formylbenzoate |
| Molecular Weight: | 316.22 |
| Molecular Formula: | C14 H8 N2 O7 |
| Smiles: | [H]C(c1ccc(cc1)C(=O)Oc1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5229 |
| logD: | 2.5229 |
| logSw: | -2.9064 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 101.538 |
| InChI Key: | IBMAMOWUKZHZHK-UHFFFAOYSA-N |