ChemSpider 2D Image | Methyl 3-chloro-5-fluoro-4-isopropoxybenzoate | C11H12ClFO3

Methyl 3-chloro-5-fluoro-4-isopropoxybenzoate

  • Molecular FormulaC11H12ClFO3
  • Average mass246.663 Da
  • Monoisotopic mass246.045898 Da
  • ChemSpider ID109119847

More details:

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

3-Chloro-5-fluoro-4-isopropoxybenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-chloro-5-fluoro-4-(1-methylethoxy)-, methyl ester [ACD/Index Name]
Methyl 3-chloro-5-fluoro-4-isopropoxybenzoate [ACD/IUPAC Name]
Methyl-3-chlor-5-fluor-4-isopropoxybenzoat [German] [ACD/IUPAC Name]
2432848-72-9 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 322.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.4±3.0 kJ/mol
Flash Point: 127.7±17.0 °C
Index of Refraction: 1.497
Molar Refractivity: 58.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 231.22
ACD/KOC (pH 5.5): 1713.07
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 231.22
ACD/KOC (pH 7.4): 1713.07
Polar Surface Area: 36 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 200.9±3.0 cm3

Click to predict properties on the Chemicalize site


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