3-bromo-5-hydroxy-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-bromo-5-hydroxy-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-bromo-5-hydroxy-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | 0310-0111 |
| Compound Name: | 3-bromo-5-hydroxy-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 316.11 |
| Molecular Formula: | C14 H6 Br N O3 |
| Smiles: | c1ccc2c(c1)C(c1c(cc(c3c1c2on3)[Br])O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8627 |
| logD: | 3.7295 |
| logSw: | -4.0215 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.729 |
| InChI Key: | YSUPUSOINSMHJU-UHFFFAOYSA-N |