ChemSpider 2D Image | 4-[(E)-2-(5-Nitro-3-thienyl)vinyl]nicotinonitrile | C12H7N3O2S

4-[(E)-2-(5-Nitro-3-thienyl)vinyl]nicotinonitrile

  • Molecular FormulaC12H7N3O2S
  • Average mass257.268 Da
  • Monoisotopic mass257.025909 Da
  • ChemSpider ID65033761

  • Double-bond stereo - Double-bond stereo

More details:

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

3-Pyridinecarbonitrile, 4-[(E)-2-(5-nitro-3-thienyl)ethenyl]- [ACD/Index Name]
4-[(E)-2-(5-Nitro-3-thienyl)vinyl]nicotinonitril [German] [ACD/IUPAC Name]
4-[(E)-2-(5-Nitro-3-thienyl)vinyl]nicotinonitrile [ACD/IUPAC Name]
4-[(E)-2-(5-Nitro-3-thiényl)vinyl]nicotinonitrile [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 473.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 240.0±28.7 °C
Index of Refraction: 1.665
Molar Refractivity: 67.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.65
ACD/KOC (pH 5.5): 633.79
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.66
ACD/KOC (pH 7.4): 633.97
Polar Surface Area: 111 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 73.8±5.0 dyne/cm
Molar Volume: 180.9±5.0 cm3

Click to predict properties on the Chemicalize site


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