9-(4-bromo-3-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Chemical Structure Depiction of
9-(4-bromo-3-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
9-(4-bromo-3-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
| Compound ID: | 8007-8107 |
| Compound Name: | 9-(4-bromo-3-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 474.35 |
| Molecular Formula: | C23 H24 Br N O5 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2ccc(c(c2)[N+]([O-])=O)[Br])C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6559 |
| logD: | 4.6559 |
| logSw: | -4.6485 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.478 |
| InChI Key: | BCFMVXQQEZMFRA-UHFFFAOYSA-N |