6-bromo-2-oxo-2H-1-benzopyran-3-carboxylic acid
Chemical Structure Depiction of
6-bromo-2-oxo-2H-1-benzopyran-3-carboxylic acid
6-bromo-2-oxo-2H-1-benzopyran-3-carboxylic acid
Compound characteristics
| Compound ID: | 0848-0083 |
| Compound Name: | 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylic acid |
| Molecular Weight: | 269.05 |
| Molecular Formula: | C10 H5 Br O4 |
| Smiles: | C1=C(C(O)=O)C(=O)Oc2ccc(cc12)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.4592 |
| logD: | -1.6109 |
| logSw: | -1.8886 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.568 |
| InChI Key: | XFQHPAXNKDYMOX-UHFFFAOYSA-N |