ChemSpider 2D Image | Ethyl 3-(3-bromo-4-fluorophenyl)-2,2-dichloro-1-cyanocyclopropanecarboxylate | C13H9BrCl2FNO2

Ethyl 3-(3-bromo-4-fluorophenyl)-2,2-dichloro-1-cyanocyclopropanecarboxylate

  • Molecular FormulaC13H9BrCl2FNO2
  • Average mass381.025 Da
  • Monoisotopic mass378.917755 Da
  • ChemSpider ID102558438

More details:

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

3-(3-Bromo-4-fluorophényl)-2,2-dichloro-1-cyanocyclopropanecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 3-(3-bromo-4-fluorophenyl)-2,2-dichloro-1-cyano-, ethyl ester [ACD/Index Name]
Ethyl 3-(3-bromo-4-fluorophenyl)-2,2-dichloro-1-cyanocyclopropanecarboxylate [ACD/IUPAC Name]
Ethyl-3-(3-brom-4-fluorphenyl)-2,2-dichlor-1-cyancyclopropancarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 449.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 225.5±28.7 °C
Index of Refraction: 1.594
Molar Refractivity: 76.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 4.48
ACD/BCF (pH 5.5): 1497.18
ACD/KOC (pH 5.5): 6523.17
ACD/LogD (pH 7.4): 4.48
ACD/BCF (pH 7.4): 1497.18
ACD/KOC (pH 7.4): 6523.17
Polar Surface Area: 50 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 225.2±5.0 cm3

Click to predict properties on the Chemicalize site


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