9-(2,4-dichloro-5-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Chemical Structure Depiction of
9-(2,4-dichloro-5-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
9-(2,4-dichloro-5-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
| Compound ID: | 8007-8093 |
| Compound Name: | 9-(2,4-dichloro-5-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 464.34 |
| Molecular Formula: | C23 H23 Cl2 N O5 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2cc(c(cc2[Cl])[Cl])[N+]([O-])=O)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3748 |
| logD: | 5.3748 |
| logSw: | -5.9382 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.478 |
| InChI Key: | KTCUNLBLMACBIX-UHFFFAOYSA-N |