ChemSpider 2D Image | (2E)-3-(5-Bromo-2,4-dimethoxyphenyl)-2-(3,4-dichlorophenyl)acrylonitrile | C17H12BrCl2NO2

(2E)-3-(5-Bromo-2,4-dimethoxyphenyl)-2-(3,4-dichlorophenyl)acrylonitrile

  • Molecular FormulaC17H12BrCl2NO2
  • Average mass413.093 Da
  • Monoisotopic mass410.942841 Da
  • ChemSpider ID68622651

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(5-Brom-2,4-dimethoxyphenyl)-2-(3,4-dichlorphenyl)acrylonitril [German] [ACD/IUPAC Name]
(2E)-3-(5-Bromo-2,4-dimethoxyphenyl)-2-(3,4-dichlorophenyl)acrylonitrile [ACD/IUPAC Name]
(2E)-3-(5-Bromo-2,4-diméthoxyphényl)-2-(3,4-dichlorophényl)acrylonitrile [French] [ACD/IUPAC Name]
Benzeneacetonitrile, α-[(5-bromo-2,4-dimethoxyphenyl)methylene]-3,4-dichloro-, (αE)- [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: 525.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 271.4±30.1 °C
Index of Refraction: 1.632
Molar Refractivity: 97.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.21
ACD/LogD (pH 5.5): 6.10
ACD/BCF (pH 5.5): 25648.47
ACD/KOC (pH 5.5): 49841.52
ACD/LogD (pH 7.4): 6.10
ACD/BCF (pH 7.4): 25648.47
ACD/KOC (pH 7.4): 49841.52
Polar Surface Area: 42 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 274.0±3.0 cm3

Click to predict properties on the Chemicalize site


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