ChemSpider 2D Image | (2E)-3-(4-Nitrophenyl)-1-(1H-pyrrol-2-yl)-2-propen-1-one | C13H10N2O3

(2E)-3-(4-Nitrophenyl)-1-(1H-pyrrol-2-yl)-2-propen-1-one

  • Molecular FormulaC13H10N2O3
  • Average mass242.230 Da
  • Monoisotopic mass242.069138 Da
  • ChemSpider ID31122143

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4-Nitrophenyl)-1-(1H-pyrrol-2-yl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-(4-Nitrophenyl)-1-(1H-pyrrol-2-yl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-(4-Nitrophényl)-1-(1H-pyrrol-2-yl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-(4-nitrophenyl)-1-(1H-pyrrol-2-yl)-, (2E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 440.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.7±3.0 kJ/mol
Flash Point: 219.9±28.7 °C
Index of Refraction: 1.681
Molar Refractivity: 68.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.49
ACD/KOC (pH 5.5): 526.56
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.49
ACD/KOC (pH 7.4): 526.56
Polar Surface Area: 79 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 62.5±3.0 dyne/cm
Molar Volume: 180.0±3.0 cm3

Click to predict properties on the Chemicalize site


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