ChemSpider 2D Image | Ethyl 3-bromo-4-cyano-2-(trifluoromethyl)benzoate | C11H7BrF3NO2

Ethyl 3-bromo-4-cyano-2-(trifluoromethyl)benzoate

  • Molecular FormulaC11H7BrF3NO2
  • Average mass322.078 Da
  • Monoisotopic mass320.961212 Da
  • ChemSpider ID77038227

More details:

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

3-Bromo-4-cyano-2-(trifluorométhyl)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-bromo-4-cyano-2-(trifluoromethyl)-, ethyl ester [ACD/Index Name]
Ethyl 3-bromo-4-cyano-2-(trifluoromethyl)benzoate [ACD/IUPAC Name]
Ethyl-3-brom-4-cyan-2-(trifluormethyl)benzoat [German] [ACD/IUPAC Name]
1805584-99-9 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 372.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.9±3.0 kJ/mol
Flash Point: 178.8±27.9 °C
Index of Refraction: 1.518
Molar Refractivity: 59.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 385.75
ACD/KOC (pH 5.5): 2471.06
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 385.75
ACD/KOC (pH 7.4): 2471.06
Polar Surface Area: 50 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 44.6±5.0 dyne/cm
Molar Volume: 197.3±5.0 cm3

Click to predict properties on the Chemicalize site


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