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| Duplicate ID | |
|---|---|
| Molecule Name | isopentyl 2-{4-nitrophenyl}-1,3-dioxo-5-isoindolinecarboxylate |
| 3-methylbutyl 2-(4-nitrophenyl)-1,3-dioxoisoindoline-5-carboxylate | |
| Smiles | CC(CCOC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])C |
| Cas Number | |
| InchiKey | UETDZKGQKOQSCG-UHFFFAOYSA-N |
| InChi | InChI=1S/C20H18N2O6/c1-12(2)9-10-28-20(25)13-3-8-16-17(11-13)19(24)21(18(16)23)14-4-6-15(7-5-14)22(26)27/h3-8,11-12H,9-10H2,1-2H3 |
| Formula | C20H18N2O6 |
| Molecular weight | 382.367 |
| Rings | 3 |
| logP | 4.1865 |
| PSA | 109.5 |
| MR | 106.289 |