4-nitrophenyl 1-(4-bromobenzoyl)-1-methyl-2-oxo-1,7b-dihydrocyclopropa[c][1]benzopyran-1a(2H)-carboxylate
Chemical Structure Depiction of
4-nitrophenyl 1-(4-bromobenzoyl)-1-methyl-2-oxo-1,7b-dihydrocyclopropa[c][1]benzopyran-1a(2H)-carboxylate
4-nitrophenyl 1-(4-bromobenzoyl)-1-methyl-2-oxo-1,7b-dihydrocyclopropa[c][1]benzopyran-1a(2H)-carboxylate
Compound characteristics
| Compound ID: | 8017-3194 |
| Compound Name: | 4-nitrophenyl 1-(4-bromobenzoyl)-1-methyl-2-oxo-1,7b-dihydrocyclopropa[c][1]benzopyran-1a(2H)-carboxylate |
| Molecular Weight: | 522.31 |
| Molecular Formula: | C25 H16 Br N O7 |
| Smiles: | CC1(C2c3ccccc3OC(C12C(=O)Oc1ccc(cc1)[N+]([O-])=O)=O)C(c1ccc(cc1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8221 |
| logD: | 5.8199 |
| logSw: | -5.7085 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 88.638 |
| InChI Key: | GNUQJYKQKDEKSW-UHFFFAOYSA-N |