ChemSpider 2D Image | 5-[3-(Chloromethoxy)-1-propyn-1-yl]-3-fluoro-2-hydroxybenzoic acid | C11H8ClFO4

5-[3-(Chloromethoxy)-1-propyn-1-yl]-3-fluoro-2-hydroxybenzoic acid

  • Molecular FormulaC11H8ClFO4
  • Average mass258.630 Da
  • Monoisotopic mass258.009521 Da
  • ChemSpider ID94592039

More details:

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

5-[3-(Chlormethoxy)-1-propin-1-yl]-3-fluor-2-hydroxybenzoesäure [German] [ACD/IUPAC Name]
5-[3-(Chloromethoxy)-1-propyn-1-yl]-3-fluoro-2-hydroxybenzoic acid [ACD/IUPAC Name]
Acide 5-[3-(chlorométhoxy)-1-propyn-1-yl]-3-fluoro-2-hydroxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-[3-(chloromethoxy)-1-propyn-1-yl]-3-fluoro-2-hydroxy- [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: 414.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.3±3.0 kJ/mol
Flash Point: 204.4±28.7 °C
Index of Refraction: 1.598
Molar Refractivity: 57.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.19
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.09
Polar Surface Area: 67 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 66.5±5.0 dyne/cm
Molar Volume: 169.3±5.0 cm3

Click to predict properties on the Chemicalize site


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