4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile
4-(1,3-dioxoisoindol-2-yl)benzonitrile
Also Known As: TimTec1_001831|Oprea1_758395|4-(1,3-dioxoisoindol-2-yl)benzonitrile|2-(4-Cyanophenyl)-2H-isoindole-1,3-dione|4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile|4-(1,3-Dioxo-2H-isoindole-2-yl)benzonitrile|4-(1,3-dioxobenzo[c]azolin-2-yl)benzenecarbonitrile|Benzonitrile, 4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-|BRD-K20631212-001-01-5|4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzonitrile|4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile #
| Molecular Formula | C15H8N2O2 |
|---|---|
| Molecular Weight | 248.05858 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 61.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.05858 |
| Monoisotopic Mass | 248.05858 |
| Heavy Atoms | 19 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 40101-61-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C#N |
| InChIKey | HJEZSJZFLRHLAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile (CAS 40101-61-9), with molecular formula C15H8N2O2 and molecular weight 248.05858 g/mol. IUPAC: 4-(1,3-dioxoisoindol-2-yl)benzonitrile.
4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile is a custom synthesis product. We offer services from milligram to kilogram scale.
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