ChemSpider 2D Image | 3-({2-[3-(4-Bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}methyl)benzonitrile | C20H13BrN4O

3-({2-[3-(4-Bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}methyl)benzonitrile

  • Molecular FormulaC20H13BrN4O
  • Average mass405.247 Da
  • Monoisotopic mass404.027252 Da
  • ChemSpider ID30755621

More details:






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

3-({2-[3-(4-Bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}methyl)benzonitrile [ACD/IUPAC Name]
3-({2-[3-(4-Bromophényl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}méthyl)benzonitrile [French] [ACD/IUPAC Name]
3-({2-[3-(4-Bromphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}methyl)benzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 3-[[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl]methyl]- [ACD/Index Name]
1428366-74-8 [RN]
3-((2-(3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl)-1H-pyrrol-1-yl)methyl)benzonitrile

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 572.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 299.8±32.9 °C
Index of Refraction: 1.688
Molar Refractivity: 105.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1723.05
ACD/KOC (pH 5.5): 7213.38
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1723.05
ACD/KOC (pH 7.4): 7213.38
Polar Surface Area: 68 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 276.5±7.0 cm3

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