ChemSpider 2D Image | 4-{[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)oxy]carbonyl}-1-methyl-1H-pyrazole-5-carbonitrile | C14H8N4O4

4-{[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)oxy]carbonyl}-1-methyl-1H-pyrazole-5-carbonitrile

  • Molecular FormulaC14H8N4O4
  • Average mass296.238 Da
  • Monoisotopic mass296.054565 Da
  • ChemSpider ID71095838

More details:

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

1H-Pyrazole-5-carbonitrile, 4-[[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]carbonyl]-1-methyl- [ACD/Index Name]
4-{[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)oxy]carbonyl}-1-methyl-1H-pyrazol-5-carbonitril [German] [ACD/IUPAC Name]
4-{[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)oxy]carbonyl}-1-methyl-1H-pyrazole-5-carbonitrile [ACD/IUPAC Name]
4-{[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)oxy]carbonyl}-1-méthyl-1H-pyrazole-5-carbonitrile [French] [ACD/IUPAC Name]
1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 5-cyano-1-methyl-1H-pyrazole-4-carboxylate
2248334-42-9 [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: 552.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 287.7±32.9 °C
Index of Refraction: 1.718
Molar Refractivity: 76.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.12
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 2.03
ACD/KOC (pH 5.5): 57.80
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 2.03
ACD/KOC (pH 7.4): 57.80
Polar Surface Area: 105 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 68.0±7.0 dyne/cm
Molar Volume: 193.0±7.0 cm3

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