ChemSpider 2D Image | (2R)-4-Methoxy-4-oxo-2-butanyl 2,5-difluorobenzoate | C12H12F2O4

(2R)-4-Methoxy-4-oxo-2-butanyl 2,5-difluorobenzoate

  • Molecular FormulaC12H12F2O4
  • Average mass258.218 Da
  • Monoisotopic mass258.070374 Da
  • ChemSpider ID35175911

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-4-Methoxy-4-oxo-2-butanyl 2,5-difluorobenzoate [ACD/IUPAC Name]
(2R)-4-Methoxy-4-oxo-2-butanyl-2,5-difluorbenzoat [German] [ACD/IUPAC Name]
2,5-Difluorobenzoate de (2R)-4-méthoxy-4-oxo-2-butanyle [French] [ACD/IUPAC Name]
Benzoic acid, 2,5-difluoro-, (1R)-3-methoxy-1-methyl-3-oxopropyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 328.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.1±3.0 kJ/mol
Flash Point: 147.6±22.8 °C
Index of Refraction: 1.479
Molar Refractivity: 58.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.59
ACD/KOC (pH 5.5): 664.59
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.59
ACD/KOC (pH 7.4): 664.59
Polar Surface Area: 53 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 205.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement