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

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

  • Molecular FormulaC14H8N4O4
  • Average mass296.238 Da
  • Monoisotopic mass296.054565 Da
  • ChemSpider ID71092030

More details:

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

1-{2-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)oxy]-2-oxoethyl}-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
1-{2-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)oxy]-2-oxoethyl}-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
1-{2-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)oxy]-2-oxoéthyl}-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]
1H-Pyrazole-4-carbonitrile, 1-[2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-2-oxoethyl]- [ACD/Index Name]
1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-(4-cyano-1H-pyrazol-1-yl)acetate
2248282-40-6 [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: 525.8±56.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 271.8±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: 0.63
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 3.14
ACD/KOC (pH 5.5): 78.90
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 3.14
ACD/KOC (pH 7.4): 78.90
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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