3-(4-chloro-1H-pyrazole-1-carbonyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(4-chloro-1H-pyrazole-1-carbonyl)-2H-1-benzopyran-2-one
3-(4-chloro-1H-pyrazole-1-carbonyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y508-2709 |
| Compound Name: | 3-(4-chloro-1H-pyrazole-1-carbonyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 274.66 |
| Molecular Formula: | C13 H7 Cl N2 O3 |
| Smiles: | C1=C(C(n2cc(cn2)[Cl])=O)C(=O)Oc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 1.774 |
| logD: | 1.774 |
| logSw: | -2.4474 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.714 |
| InChI Key: | DGBQVCNMLQGNAD-UHFFFAOYSA-N |