ChemSpider 2D Image | 5-(4-Nitrophenyl)-2-thiophenecarbonitrile | C11H6N2O2S

5-(4-Nitrophenyl)-2-thiophenecarbonitrile

  • Molecular FormulaC11H6N2O2S
  • Average mass230.242 Da
  • Monoisotopic mass230.014999 Da
  • ChemSpider ID15067867

More details:

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

2-Thiophenecarbonitrile, 5-(4-nitrophenyl)- [ACD/Index Name]
5-(4-Nitrophenyl)-2-thiophencarbonitril [German] [ACD/IUPAC Name]
5-(4-Nitrophenyl)-2-thiophenecarbonitrile [ACD/IUPAC Name]
5-(4-Nitrophényl)-2-thiophènecarbonitrile [French] [ACD/IUPAC Name]
5-(4-Nitrophenyl)thiophene-2-carbonitrile
89114-65-8 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 403.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.5±3.0 kJ/mol
Flash Point: 197.9±25.9 °C
Index of Refraction: 1.665
Molar Refractivity: 60.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 220.87
ACD/KOC (pH 5.5): 1657.81
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 220.87
ACD/KOC (pH 7.4): 1657.81
Polar Surface Area: 98 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 162.1±5.0 cm3

Click to predict properties on the Chemicalize site


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