3-(1,3-benzoxazol-2-yl)-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(1,3-benzoxazol-2-yl)-6-nitro-2H-1-benzopyran-2-one
3-(1,3-benzoxazol-2-yl)-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 3448-3609 |
| Compound Name: | 3-(1,3-benzoxazol-2-yl)-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 308.25 |
| Molecular Formula: | C16 H8 N2 O5 |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[N+]([O-])=O)c1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 3.3665 |
| logD: | 3.3665 |
| logSw: | -3.8054 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.352 |
| InChI Key: | PUQZCNGJALKKBE-UHFFFAOYSA-N |