ChemSpider 2D Image | 7-(5-Fluoro-3-pyridinyl)-1,3-benzodioxole-5-carbaldehyde | C13H8FNO3

7-(5-Fluoro-3-pyridinyl)-1,3-benzodioxole-5-carbaldehyde

  • Molecular FormulaC13H8FNO3
  • Average mass245.206 Da
  • Monoisotopic mass245.048828 Da
  • ChemSpider ID68012601

More details:

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

1,3-Benzodioxole-5-carboxaldehyde, 7-(5-fluoro-3-pyridinyl)- [ACD/Index Name]
7-(5-Fluor-3-pyridinyl)-1,3-benzodioxol-5-carbaldehyd [German] [ACD/IUPAC Name]
7-(5-Fluoro-3-pyridinyl)-1,3-benzodioxole-5-carbaldehyde [ACD/IUPAC Name]
7-(5-Fluoro-3-pyridinyl)-1,3-benzodioxole-5-carbaldéhyde [French] [ACD/IUPAC Name]
2241138-28-1 [RN]
7-(5-fluoropyridin-3-yl)-1,3-dioxaindane-5-carbaldehyde
MFCD30476166

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

Density: 1.4±0.1 g/cm3
Boiling Point: 420.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 208.2±28.7 °C
Index of Refraction: 1.625
Molar Refractivity: 61.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.59
ACD/KOC (pH 5.5): 225.29
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.59
ACD/KOC (pH 7.4): 225.35
Polar Surface Area: 48 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 57.7±3.0 dyne/cm
Molar Volume: 175.0±3.0 cm3

Click to predict properties on the Chemicalize site


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