ChemSpider 2D Image | [(3E)-4-(2-Bromophenyl)-3-buten-2-ylidene]malononitrile | C13H9BrN2

[(3E)-4-(2-Bromophenyl)-3-buten-2-ylidene]malononitrile

  • Molecular FormulaC13H9BrN2
  • Average mass273.128 Da
  • Monoisotopic mass271.994904 Da
  • ChemSpider ID30656405

  • Double-bond stereo - Double-bond stereo

More details:

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

[(3E)-4-(2-Bromophenyl)-3-buten-2-ylidene]malononitrile [ACD/IUPAC Name]
[(3E)-4-(2-Bromophényl)-3-butén-2-ylidène]malononitrile [French] [ACD/IUPAC Name]
[(3E)-4-(2-Bromphenyl)-3-buten-2-yliden]malononitril [German] [ACD/IUPAC Name]
Propanedinitrile, 2-[(2E)-3-(2-bromophenyl)-1-methyl-2-propen-1-ylidene]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 418.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.2±3.0 kJ/mol
Flash Point: 207.0±27.3 °C
Index of Refraction: 1.623
Molar Refractivity: 67.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 263.93
ACD/KOC (pH 5.5): 1883.27
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 263.93
ACD/KOC (pH 7.4): 1883.27
Polar Surface Area: 48 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 192.6±3.0 cm3

Click to predict properties on the Chemicalize site


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