ChemSpider 2D Image | 1-[2-(1-Benzofuran-2-yl)-2-oxoethyl]-1H-1,2,4-triazole-3-carbonitrile | C13H8N4O2

1-[2-(1-Benzofuran-2-yl)-2-oxoethyl]-1H-1,2,4-triazole-3-carbonitrile

  • Molecular FormulaC13H8N4O2
  • Average mass252.228 Da
  • Monoisotopic mass252.064728 Da
  • ChemSpider ID21709695

More details:

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

1-[2-(1-Benzofuran-2-yl)-2-oxoethyl]-1H-1,2,4-triazol-3-carbonitril [German] [ACD/IUPAC Name]
1-[2-(1-Benzofuran-2-yl)-2-oxoethyl]-1H-1,2,4-triazole-3-carbonitrile [ACD/IUPAC Name]
1-[2-(1-Benzofuran-2-yl)-2-oxoéthyl]-1H-1,2,4-triazole-3-carbonitrile [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole-3-carbonitrile, 1-[2-(2-benzofuranyl)-2-oxoethyl]- [ACD/Index Name]
949672-38-2 [RN]
MFCD10505210

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

Density: 1.4±0.1 g/cm3
Boiling Point: 496.0±51.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 253.8±30.4 °C
Index of Refraction: 1.707
Molar Refractivity: 69.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.79
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 3.81
ACD/KOC (pH 5.5): 90.58
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 3.81
ACD/KOC (pH 7.4): 90.58
Polar Surface Area: 85 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 62.2±7.0 dyne/cm
Molar Volume: 177.2±7.0 cm3

Click to predict properties on the Chemicalize site


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