ChemSpider 2D Image | 2-[(3E)-6-(3-Nitrophenyl)-3-hexene-1,5-diyn-1-yl]benzonitrile | C19H10N2O2

2-[(3E)-6-(3-Nitrophenyl)-3-hexene-1,5-diyn-1-yl]benzonitrile

  • Molecular FormulaC19H10N2O2
  • Average mass298.295 Da
  • Monoisotopic mass298.074219 Da
  • ChemSpider ID28561183

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(3E)-6-(3-Nitrophenyl)-3-hexen-1,5-diin-1-yl]benzonitril [German] [ACD/IUPAC Name]
2-[(3E)-6-(3-Nitrophenyl)-3-hexene-1,5-diyn-1-yl]benzonitrile [ACD/IUPAC Name]
2-[(3E)-6-(3-Nitrophényl)-3-hexène-1,5-diyn-1-yl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-[(3E)-6-(3-nitrophenyl)-3-hexene-1,5-diyn-1-yl]- [ACD/Index Name]
823227-11-8 [RN]
BENZONITRILE, 2-[6-(3-NITROPHENYL)-3-HEXENE-1,5-DIYNYL]-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 485.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 247.5±28.7 °C
Index of Refraction: 1.671
Molar Refractivity: 85.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 3424.35
ACD/KOC (pH 5.5): 11793.57
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3424.35
ACD/KOC (pH 7.4): 11793.57
Polar Surface Area: 70 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 70.5±5.0 dyne/cm
Molar Volume: 229.4±5.0 cm3

Click to predict properties on the Chemicalize site


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