ChemSpider 2D Image | (5-{[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)oxy]carbonyl}-1H-pyrazol-1-yl)acetonitrile | C14H8N4O4

(5-{[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)oxy]carbonyl}-1H-pyrazol-1-yl)acetonitrile

  • Molecular FormulaC14H8N4O4
  • Average mass296.238 Da
  • Monoisotopic mass296.054565 Da
  • ChemSpider ID71086542

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5-{[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)oxy]carbonyl}-1H-pyrazol-1-yl)acetonitril [German] [ACD/IUPAC Name]
(5-{[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)oxy]carbonyl}-1H-pyrazol-1-yl)acetonitrile [ACD/IUPAC Name]
(5-{[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)oxy]carbonyl}-1H-pyrazol-1-yl)acétonitrile [French] [ACD/IUPAC Name]
1H-Pyrazole-1-acetonitrile, 5-[[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]carbonyl]- [ACD/Index Name]
1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 1-(cyanomethyl)-1H-pyrazole-5-carboxylate
2248371-04-0 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 536.6±56.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 278.3±31.8 °C
Index of Refraction: 1.716
Molar Refractivity: 76.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.41
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.48
ACD/KOC (pH 5.5): 46.10
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.48
ACD/KOC (pH 7.4): 46.10
Polar Surface Area: 105 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 70.5±7.0 dyne/cm
Molar Volume: 193.9±7.0 cm3

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