ChemSpider 2D Image | 3-(5-Fluoro-3-hydroxy-2-methoxyphenyl)-2-propyn-1-yl carbonochloridate | C11H8ClFO4

3-(5-Fluoro-3-hydroxy-2-methoxyphenyl)-2-propyn-1-yl carbonochloridate

  • Molecular FormulaC11H8ClFO4
  • Average mass258.630 Da
  • Monoisotopic mass258.009521 Da
  • ChemSpider ID94247166

More details:

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

3-(5-Fluor-3-hydroxy-2-methoxyphenyl)-2-propin-1-ylcarbonochloridat [German] [ACD/IUPAC Name]
3-(5-Fluoro-3-hydroxy-2-methoxyphenyl)-2-propyn-1-yl carbonochloridate [ACD/IUPAC Name]
Carbonochloridate de 3-(5-fluoro-3-hydroxy-2-méthoxyphényl)-2-propyn-1-yle [French] [ACD/IUPAC Name]
Carbonochloridic acid, 3-(5-fluoro-3-hydroxy-2-methoxyphenyl)-2-propyn-1-yl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 392.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.8±3.0 kJ/mol
Flash Point: 191.3±27.9 °C
Index of Refraction: 1.565
Molar Refractivity: 58.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 115.64
ACD/KOC (pH 5.5): 1042.70
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 100.81
ACD/KOC (pH 7.4): 908.94
Polar Surface Area: 56 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 178.0±5.0 cm3

Click to predict properties on the Chemicalize site


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