ChemSpider 2D Image | 4-[(1E)-2-Nitro-1-buten-1-yl]benzonitrile | C11H10N2O2

4-[(1E)-2-Nitro-1-buten-1-yl]benzonitrile

  • Molecular FormulaC11H10N2O2
  • Average mass202.209 Da
  • Monoisotopic mass202.074234 Da
  • ChemSpider ID21428947

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(1E)-2-Nitro-1-buten-1-yl]benzonitril [German] [ACD/IUPAC Name]
4-[(1E)-2-Nitro-1-buten-1-yl]benzonitrile [ACD/IUPAC Name]
4-[(1E)-2-Nitro-1-butén-1-yl]benzonitrile [French] [ACD/IUPAC Name]
4-[(1E)-2-Nitrobut-1-en-1-yl]benzonitrile
Benzonitrile, 4-[(1E)-2-nitro-1-buten-1-yl]- [ACD/Index Name]
1799513-37-3 [RN]
MFCD16061876

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

Density: 1.2±0.1 g/cm3
Boiling Point: 363.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.0±3.0 kJ/mol
Flash Point: 173.9±23.2 °C
Index of Refraction: 1.563
Molar Refractivity: 55.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 45.47
ACD/KOC (pH 5.5): 534.86
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 45.47
ACD/KOC (pH 7.4): 534.86
Polar Surface Area: 70 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 171.1±5.0 cm3

Click to predict properties on the Chemicalize site


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