ChemSpider 2D Image | Ethyl 3-bromo-2-cyano-6-(trifluoromethyl)benzoate | C11H7BrF3NO2

Ethyl 3-bromo-2-cyano-6-(trifluoromethyl)benzoate

  • Molecular FormulaC11H7BrF3NO2
  • Average mass322.078 Da
  • Monoisotopic mass320.961212 Da
  • ChemSpider ID77038226

More details:

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

3-Bromo-2-cyano-6-(trifluorométhyl)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-bromo-2-cyano-6-(trifluoromethyl)-, ethyl ester [ACD/Index Name]
Ethyl 3-bromo-2-cyano-6-(trifluoromethyl)benzoate [ACD/IUPAC Name]
Ethyl-3-brom-2-cyan-6-(trifluormethyl)benzoat [German] [ACD/IUPAC Name]
1805023-21-5 [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: 392.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.2±3.0 kJ/mol
Flash Point: 190.9±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: 3.47
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 279.75
ACD/KOC (pH 5.5): 1963.39
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 279.75
ACD/KOC (pH 7.4): 1963.39
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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