ChemSpider 2D Image | (2E)-3-(6-Chloro-3-pyridinyl)-1-[3-fluoro-4-(methylsulfonyl)phenyl]-2-propen-1-one | C15H11ClFNO3S

(2E)-3-(6-Chloro-3-pyridinyl)-1-[3-fluoro-4-(methylsulfonyl)phenyl]-2-propen-1-one

  • Molecular FormulaC15H11ClFNO3S
  • Average mass339.769 Da
  • Monoisotopic mass339.013214 Da
  • ChemSpider ID30279409

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(6-Chlor-3-pyridinyl)-1-[3-fluor-4-(methylsulfonyl)phenyl]-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-(6-Chloro-3-pyridinyl)-1-[3-fluoro-4-(methylsulfonyl)phenyl]-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-(6-Chloro-3-pyridinyl)-1-[3-fluoro-4-(méthylsulfonyl)phényl]-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-(6-chloro-3-pyridinyl)-1-[3-fluoro-4-(methylsulfonyl)phenyl]-, (2E)- [ACD/Index Name]
(2E)-3-(6-CHLOROPYRIDIN-3-YL)-1-(3-FLUORO-4-METHANESULFONYLPHENYL)PROP-2-EN-1-ONE
1394802-87-9 [RN]
3-(6-chloropyridin-3-yl)-1-(3-fluoro-4-methanesulfonylphenyl)prop-2-en-1-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 559.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 292.3±30.1 °C
Index of Refraction: 1.592
Molar Refractivity: 81.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 23.95
ACD/KOC (pH 5.5): 337.98
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 23.95
ACD/KOC (pH 7.4): 337.98
Polar Surface Area: 72 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 241.0±3.0 cm3

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