3-(4-nitro-1H-pyrazole-1-carbonyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(4-nitro-1H-pyrazole-1-carbonyl)-2H-1-benzopyran-2-one
3-(4-nitro-1H-pyrazole-1-carbonyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8009-4492 |
| Compound Name: | 3-(4-nitro-1H-pyrazole-1-carbonyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 285.21 |
| Molecular Formula: | C13 H7 N3 O5 |
| Smiles: | C1=C(C(n2cc(cn2)[N+]([O-])=O)=O)C(=O)Oc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 1.0872 |
| logD: | 1.0872 |
| logSw: | -1.9646 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.095 |
| InChI Key: | LSQKXDRXDUPDHA-UHFFFAOYSA-N |