ChemSpider 2D Image | 3-Chloro-4-[(3-fluoro-4-methoxybenzyl)sulfonyl]benzonitrile | C15H11ClFNO3S

3-Chloro-4-[(3-fluoro-4-methoxybenzyl)sulfonyl]benzonitrile

  • Molecular FormulaC15H11ClFNO3S
  • Average mass339.769 Da
  • Monoisotopic mass339.013214 Da
  • ChemSpider ID30390066

More details:

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

3-Chlor-4-[(3-fluor-4-methoxybenzyl)sulfonyl]benzonitril [German] [ACD/IUPAC Name]
3-Chloro-4-[(3-fluoro-4-methoxybenzyl)sulfonyl]benzonitrile [ACD/IUPAC Name]
3-Chloro-4-[(3-fluoro-4-méthoxybenzyl)sulfonyl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-chloro-4-[[(3-fluoro-4-methoxyphenyl)methyl]sulfonyl]- [ACD/Index Name]
3-CHLORO-4-[(3-FLUORO-4-METHOXYPHENYL)METHANESULFONYL]BENZONITRILE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 532.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 276.0±30.1 °C
Index of Refraction: 1.608
Molar Refractivity: 80.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 131.06
ACD/KOC (pH 5.5): 1141.03
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 131.06
ACD/KOC (pH 7.4): 1141.03
Polar Surface Area: 76 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 233.7±5.0 cm3

Click to predict properties on the Chemicalize site


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