9-(4-bromo-3-nitrophenyl)-2,2,7,7-tetramethyl-2,3,7,8-tetrahydro-1H-xanthene-4,5(6H,9H)-dione
Chemical Structure Depiction of
9-(4-bromo-3-nitrophenyl)-2,2,7,7-tetramethyl-2,3,7,8-tetrahydro-1H-xanthene-4,5(6H,9H)-dione
9-(4-bromo-3-nitrophenyl)-2,2,7,7-tetramethyl-2,3,7,8-tetrahydro-1H-xanthene-4,5(6H,9H)-dione
Compound characteristics
| Compound ID: | 8002-1679 |
| Compound Name: | 9-(4-bromo-3-nitrophenyl)-2,2,7,7-tetramethyl-2,3,7,8-tetrahydro-1H-xanthene-4,5(6H,9H)-dione |
| Molecular Weight: | 474.35 |
| Molecular Formula: | C23 H24 Br N O5 |
| Smiles: | CC1(C)CC2C(C3CC(C)(C)CC(C=3OC=2C(C1)=O)=O)c1ccc(c(c1)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.912 |
| logD: | 4.912 |
| logSw: | -4.8164 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.71 |
| InChI Key: | KLNWZMCTQPAJAO-UHFFFAOYSA-N |