ChemSpider 2D Image | (2Z)-3-(2-Chloro-6-fluorophenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acrylonitrile | C18H13ClFN3

(2Z)-3-(2-Chloro-6-fluorophenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acrylonitrile

  • Molecular FormulaC18H13ClFN3
  • Average mass325.767 Da
  • Monoisotopic mass325.078217 Da
  • ChemSpider ID32234055
  • 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-(5,6-dimethyl-1H-benzimidazol-2-yl)acrylonitril [German] [ACD/IUPAC Name]
(2Z)-3-(2-Chloro-6-fluorophenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acrylonitrile [ACD/IUPAC Name]
(2Z)-3-(2-Chloro-6-fluorophényl)-2-(5,6-diméthyl-1H-benzimidazol-2-yl)acrylonitrile [French] [ACD/IUPAC Name]
1H-Benzimidazole-2-acetonitrile, α-[(2-chloro-6-fluorophenyl)methylene]-5,6-dimethyl-, (αZ)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 523.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 270.6±32.9 °C
Index of Refraction: 1.689
Molar Refractivity: 91.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4035.92
ACD/KOC (pH 5.5): 12612.77
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 4803.75
ACD/KOC (pH 7.4): 15012.34
Polar Surface Area: 52 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 240.3±3.0 cm3

Click to predict properties on the Chemicalize site






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