ChemSpider 2D Image | 3-[2-(2,5-Dihydro-1H-pyrrol-1-ylmethyl)benzoyl]benzonitrile | C19H16N2O

3-[2-(2,5-Dihydro-1H-pyrrol-1-ylmethyl)benzoyl]benzonitrile

  • Molecular FormulaC19H16N2O
  • Average mass288.343 Da
  • Monoisotopic mass288.126251 Da
  • ChemSpider ID21400244

More details:

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

3-(2-((2,5-Dihydro-1H-pyrrol-1-yl)methyl)benzoyl)benzonitrile
3-[2-(2,5-Dihydro-1H-pyrrol-1-ylmethyl)benzoyl]benzonitril [German] [ACD/IUPAC Name]
3-[2-(2,5-Dihydro-1H-pyrrol-1-ylmethyl)benzoyl]benzonitrile [ACD/IUPAC Name]
3-[2-(2,5-Dihydro-1H-pyrrol-1-ylméthyl)benzoyl]benzonitrile [French] [ACD/IUPAC Name]
3-[2-[(2,5-Dihydro-1H-pyrrol-1-yl)methyl]benzoyl]benzonitrile
898762-93-1 [RN]
Benzonitrile, 3-[2-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]benzoyl]- [ACD/Index Name]
3-[2-(2,5-dihydropyrrol-1-ylmethyl)benzoyl]benzonitrile
3-{2-[(2,5-Dihydro-1H-pyrrol-1-yl)methyl]benzoyl}benzonitrile
3'-cyano-2-(3-pyrrolinomethyl) benzophenone
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 485.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 247.3±28.7 °C
Index of Refraction: 1.647
Molar Refractivity: 85.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.38
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 5.32
ACD/KOC (pH 7.4): 51.21
Polar Surface Area: 44 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 235.6±5.0 cm3

Click to predict properties on the Chemicalize site


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