3-nitro-4-[(propan-2-yl)amino]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-nitro-4-[(propan-2-yl)amino]-2H-1-benzopyran-2-one
3-nitro-4-[(propan-2-yl)amino]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 0206-0022 |
| Compound Name: | 3-nitro-4-[(propan-2-yl)amino]-2H-1-benzopyran-2-one |
| Molecular Weight: | 248.24 |
| Molecular Formula: | C12 H12 N2 O4 |
| Smiles: | CC(C)NC1=C(C(=O)Oc2ccccc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9338 |
| logD: | 1.8803 |
| logSw: | -2.632 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.139 |
| InChI Key: | GDCGRBNWABDDJJ-UHFFFAOYSA-N |