ChemSpider 2D Image | 1,3-Benzodioxol-5-yl 5-chloro-2-fluorobenzoate | C14H8ClFO4

1,3-Benzodioxol-5-yl 5-chloro-2-fluorobenzoate

  • Molecular FormulaC14H8ClFO4
  • Average mass294.662 Da
  • Monoisotopic mass294.009521 Da
  • ChemSpider ID22298491

More details:






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

1,3-Benzodioxol-5-yl 5-chloro-2-fluorobenzoate [ACD/IUPAC Name]
1,3-Benzodioxol-5-yl-5-chlor-2-fluorbenzoat [German] [ACD/IUPAC Name]
5-Chloro-2-fluorobenzoate de 1,3-benzodioxol-5-yle [French] [ACD/IUPAC Name]
Benzoic acid, 5-chloro-2-fluoro-, 1,3-benzodioxol-5-yl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 424.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 184.4±17.9 °C
Index of Refraction: 1.605
Molar Refractivity: 68.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 343.55
ACD/KOC (pH 5.5): 2274.41
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 343.55
ACD/KOC (pH 7.4): 2274.41
Polar Surface Area: 45 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 200.2±3.0 cm3

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