3-(6-chloro-3-oxo[1]benzopyrano[2,3-c]pyrazol-2(3H)-yl)benzoic acid
Chemical Structure Depiction of
3-(6-chloro-3-oxo[1]benzopyrano[2,3-c]pyrazol-2(3H)-yl)benzoic acid
3-(6-chloro-3-oxo[1]benzopyrano[2,3-c]pyrazol-2(3H)-yl)benzoic acid
Compound characteristics
| Compound ID: | F808-0688 |
| Compound Name: | 3-(6-chloro-3-oxo[1]benzopyrano[2,3-c]pyrazol-2(3H)-yl)benzoic acid |
| Molecular Weight: | 340.72 |
| Molecular Formula: | C17 H9 Cl N2 O4 |
| Smiles: | C1=C2C(=NN(C2=O)c2cccc(c2)C(O)=O)Oc2ccc(cc12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.3135 |
| logD: | 0.4277 |
| logSw: | -3.6368 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.993 |
| InChI Key: | JJNHEYCEXUUOEX-UHFFFAOYSA-N |