3-(4-bromo-1H-pyrazole-1-carbonyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(4-bromo-1H-pyrazole-1-carbonyl)-2H-1-benzopyran-2-one
3-(4-bromo-1H-pyrazole-1-carbonyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8009-4501 |
| Compound Name: | 3-(4-bromo-1H-pyrazole-1-carbonyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 319.11 |
| Molecular Formula: | C13 H7 Br N2 O3 |
| Smiles: | C1=C(C(n2cc(cn2)[Br])=O)C(=O)Oc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 1.9517 |
| logD: | 1.9517 |
| logSw: | -2.2807 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.714 |
| InChI Key: | JNGAODVEPDCLIO-UHFFFAOYSA-N |