ChemSpider 2D Image | 4-[(5-Bromo-2,3-difluorophenoxy)acetyl]benzonitrile | C15H8BrF2NO2

4-[(5-Bromo-2,3-difluorophenoxy)acetyl]benzonitrile

  • Molecular FormulaC15H8BrF2NO2
  • Average mass352.130 Da
  • Monoisotopic mass350.970642 Da
  • ChemSpider ID55473651

More details:

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

4-[(5-Brom-2,3-difluorphenoxy)acetyl]benzonitril [German] [ACD/IUPAC Name]
4-[(5-Bromo-2,3-difluorophenoxy)acetyl]benzonitrile [ACD/IUPAC Name]
4-[2-(5-Bromo-2,3-difluorophénoxy)acétyl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[2-(5-bromo-2,3-difluorophenoxy)acetyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 480.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±3.0 kJ/mol
Flash Point: 244.6±28.7 °C
Index of Refraction: 1.604
Molar Refractivity: 75.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 455.27
ACD/KOC (pH 5.5): 2782.22
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 455.27
ACD/KOC (pH 7.4): 2782.22
Polar Surface Area: 50 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 218.3±5.0 cm3

Click to predict properties on the Chemicalize site


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