ChemSpider 2D Image | 4-[(4,5-Dimethoxy-2-nitrophenyl)acetyl]benzonitrile | C17H14N2O5

4-[(4,5-Dimethoxy-2-nitrophenyl)acetyl]benzonitrile

  • Molecular FormulaC17H14N2O5
  • Average mass326.303 Da
  • Monoisotopic mass326.090271 Da
  • ChemSpider ID35034993

More details:

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

4-[(4,5-Dimethoxy-2-nitrophenyl)acetyl]benzonitril [German] [ACD/IUPAC Name]
4-[(4,5-Dimethoxy-2-nitrophenyl)acetyl]benzonitrile [ACD/IUPAC Name]
4-[2-(4,5-Diméthoxy-2-nitrophényl)acétyl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[2-(4,5-dimethoxy-2-nitrophenyl)acetyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 549.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.3±30.1 °C
Index of Refraction: 1.602
Molar Refractivity: 84.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.99
ACD/KOC (pH 5.5): 636.52
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.99
ACD/KOC (pH 7.4): 636.52
Polar Surface Area: 105 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 60.7±5.0 dyne/cm
Molar Volume: 245.3±5.0 cm3

Click to predict properties on the Chemicalize site


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