ChemSpider 2D Image | Methyl 4-bromo-5-cyano-2-(difluoromethyl)benzoate | C10H6BrF2NO2

Methyl 4-bromo-5-cyano-2-(difluoromethyl)benzoate

  • Molecular FormulaC10H6BrF2NO2
  • Average mass290.061 Da
  • Monoisotopic mass288.954987 Da
  • ChemSpider ID57419755

More details:

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

4-Bromo-5-cyano-2-(difluorométhyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-bromo-5-cyano-2-(difluoromethyl)-, methyl ester [ACD/Index Name]
Methyl 4-bromo-5-cyano-2-(difluoromethyl)benzoate [ACD/IUPAC Name]
Methyl-4-brom-5-cyan-2-(difluormethyl)benzoat [German] [ACD/IUPAC Name]
1805592-60-2 [RN]
MFCD28734855

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

Density: 1.6±0.1 g/cm3
Boiling Point: 401.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.2±3.0 kJ/mol
Flash Point: 196.5±28.7 °C
Index of Refraction: 1.537
Molar Refractivity: 55.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 119.37
ACD/KOC (pH 5.5): 1067.23
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 119.37
ACD/KOC (pH 7.4): 1067.23
Polar Surface Area: 50 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 176.1±5.0 cm3

Click to predict properties on the Chemicalize site


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