4-amino-3-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-amino-3-nitro-2H-1-benzopyran-2-one
4-amino-3-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 0206-0018 |
| Compound Name: | 4-amino-3-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 206.15 |
| Molecular Formula: | C9 H6 N2 O4 |
| Smiles: | c1ccc2c(c1)C(=C(C(=O)O2)[N+]([O-])=O)N |
| Stereo: | ACHIRAL |
| logP: | 0.8117 |
| logD: | 0.7605 |
| logSw: | -2.0584 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.567 |
| InChI Key: | FXAVOHDJSAUTTG-UHFFFAOYSA-N |