ChemSpider 2D Image | (2E)-2-(1H-Benzimidazol-2-yl)-1-(4-chlorophenyl)-3-(2,6-dichlorophenyl)-2-propen-1-one | C22H13Cl3N2O

(2E)-2-(1H-Benzimidazol-2-yl)-1-(4-chlorophenyl)-3-(2,6-dichlorophenyl)-2-propen-1-one

  • Molecular FormulaC22H13Cl3N2O
  • Average mass427.710 Da
  • Monoisotopic mass426.009338 Da
  • ChemSpider ID22831166

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-(1H-Benzimidazol-2-yl)-1-(4-chlorophenyl)-3-(2,6-dichlorophenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-2-(1H-Benzimidazol-2-yl)-1-(4-chlorophényl)-3-(2,6-dichlorophényl)-2-propén-1-one [French] [ACD/IUPAC Name]
(2E)-2-(1H-Benzimidazol-2-yl)-1-(4-chlorphenyl)-3-(2,6-dichlorphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
2-Propen-1-one, 2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-3-(2,6-dichlorophenyl)-, (2E)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 634.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 337.7±34.3 °C
Index of Refraction: 1.729
Molar Refractivity: 116.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.18
ACD/LogD (pH 5.5): 6.49
ACD/BCF (pH 5.5): 49910.58
ACD/KOC (pH 5.5): 78818.02
ACD/LogD (pH 7.4): 6.52
ACD/BCF (pH 7.4): 53119.10
ACD/KOC (pH 7.4): 83884.88
Polar Surface Area: 46 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 63.4±3.0 dyne/cm
Molar Volume: 293.4±3.0 cm3

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