ChemSpider 2D Image | (2E)-2-(1H-Benzimidazol-2-yl)-3-(3,5-dibromo-2,4-dimethoxyphenyl)acrylonitrile | C18H13Br2N3O2

(2E)-2-(1H-Benzimidazol-2-yl)-3-(3,5-dibromo-2,4-dimethoxyphenyl)acrylonitrile

  • Molecular FormulaC18H13Br2N3O2
  • Average mass463.123 Da
  • Monoisotopic mass460.937439 Da
  • ChemSpider ID22934731
  • 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)-3-(3,5-dibrom-2,4-dimethoxyphenyl)acrylonitril [German] [ACD/IUPAC Name]
(2E)-2-(1H-Benzimidazol-2-yl)-3-(3,5-dibromo-2,4-dimethoxyphenyl)acrylonitrile [ACD/IUPAC Name]
(2E)-2-(1H-Benzimidazol-2-yl)-3-(3,5-dibromo-2,4-diméthoxyphényl)acrylonitrile [French] [ACD/IUPAC Name]
1H-Benzimidazole-2-acetonitrile, α-[(3,5-dibromo-2,4-dimethoxyphenyl)methylene]-, (αE)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 619.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 328.2±34.3 °C
Index of Refraction: 1.707
Molar Refractivity: 105.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 6588.77
ACD/KOC (pH 5.5): 18534.30
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 6967.21
ACD/KOC (pH 7.4): 19598.87
Polar Surface Area: 71 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 61.8±3.0 dyne/cm
Molar Volume: 271.9±3.0 cm3

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