3-[3-(4-bromophenyl)prop-2-enoyl]-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[3-(4-bromophenyl)prop-2-enoyl]-6-nitro-2H-1-benzopyran-2-one
3-[3-(4-bromophenyl)prop-2-enoyl]-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K229-0499 |
| Compound Name: | 3-[3-(4-bromophenyl)prop-2-enoyl]-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 400.18 |
| Molecular Formula: | C18 H10 Br N O5 |
| Smiles: | C(=C/c1ccc(cc1)[Br])\C(C1=Cc2cc(ccc2OC1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4295 |
| logD: | 4.4295 |
| logSw: | -4.7338 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.517 |
| InChI Key: | DRUAAUSCZCDQSG-UHFFFAOYSA-N |