4-(dimethylamino)-3,6-dinitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-(dimethylamino)-3,6-dinitro-2H-1-benzopyran-2-one
4-(dimethylamino)-3,6-dinitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 4463-0298 |
| Compound Name: | 4-(dimethylamino)-3,6-dinitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 279.21 |
| Molecular Formula: | C11 H9 N3 O6 |
| Smiles: | CN(C)C1=C(C(=O)Oc2ccc(cc12)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.4714 |
| logD: | 1.4714 |
| logSw: | -2.2461 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 90.564 |
| InChI Key: | AOJKSZBTTLEHBZ-UHFFFAOYSA-N |