6-bromo-3-[3-(3-methylphenyl)prop-2-enoyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-[3-(3-methylphenyl)prop-2-enoyl]-2H-1-benzopyran-2-one
6-bromo-3-[3-(3-methylphenyl)prop-2-enoyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K229-1057 |
| Compound Name: | 6-bromo-3-[3-(3-methylphenyl)prop-2-enoyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 369.21 |
| Molecular Formula: | C19 H13 Br O3 |
| Smiles: | Cc1cccc(/C=C/C(C2=Cc3cc(ccc3OC2=O)[Br])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.9513 |
| logD: | 4.9513 |
| logSw: | -4.8832 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.136 |
| InChI Key: | XLGCKBATYWBTTF-UHFFFAOYSA-N |