ChemSpider 2D Image | (2Z)-3-(2-Chloro-6-fluorophenyl)-2-(1-ethyl-1H-benzimidazol-2-yl)acrylonitrile | C18H13ClFN3

(2Z)-3-(2-Chloro-6-fluorophenyl)-2-(1-ethyl-1H-benzimidazol-2-yl)acrylonitrile

  • Molecular FormulaC18H13ClFN3
  • Average mass325.767 Da
  • Monoisotopic mass325.078217 Da
  • ChemSpider ID32234054
  • Double-bond stereo - Double-bond stereo


More details:






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

(2Z)-3-(2-Chlor-6-fluorphenyl)-2-(1-ethyl-1H-benzimidazol-2-yl)acrylonitril [German] [ACD/IUPAC Name]
(2Z)-3-(2-Chloro-6-fluorophenyl)-2-(1-ethyl-1H-benzimidazol-2-yl)acrylonitrile [ACD/IUPAC Name]
(2Z)-3-(2-Chloro-6-fluorophényl)-2-(1-éthyl-1H-benzimidazol-2-yl)acrylonitrile [French] [ACD/IUPAC Name]
1H-Benzimidazole-2-acetonitrile, α-[(2-chloro-6-fluorophenyl)methylene]-1-ethyl-, (αZ)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 491.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 251.2±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 91.1±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1553.03
ACD/KOC (pH 5.5): 6595.50
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1637.15
ACD/KOC (pH 7.4): 6952.75
Polar Surface Area: 42 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 43.2±7.0 dyne/cm
Molar Volume: 260.4±7.0 cm3

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