ChemSpider 2D Image | (2E)-3-(4-Chlorophenyl)-1-(1H-pyrrol-2-yl)-2-propen-1-one | C13H10ClNO

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

  • Molecular FormulaC13H10ClNO
  • Average mass231.678 Da
  • Monoisotopic mass231.045090 Da
  • ChemSpider ID21194569

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4-Chlorophenyl)-1-(1H-pyrrol-2-yl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-(4-Chlorophényl)-1-(1H-pyrrol-2-yl)-2-propén-1-one [French] [ACD/IUPAC Name]
(2E)-3-(4-Chlorphenyl)-1-(1H-pyrrol-2-yl)-2-propen-1-on [German] [ACD/IUPAC Name]
2-Propen-1-one, 3-(4-chlorophenyl)-1-(1H-pyrrol-2-yl)-, (2E)- [ACD/Index Name]
(e)-3-(4-chlorophenyl)-1-(1h-pyrrol-2-yl)prop-2-en-1-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 422.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 209.0±28.7 °C
Index of Refraction: 1.659
Molar Refractivity: 66.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 144.20
ACD/KOC (pH 5.5): 1221.81
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 144.20
ACD/KOC (pH 7.4): 1221.81
Polar Surface Area: 33 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 180.1±3.0 cm3

Click to predict properties on the Chemicalize site


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