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Search term: MF = 'C_{12}H_{14}F_{2}N_{2}O_{2}S'
ChemSpider 2D Image | 3,5-Difluoro-4-{[2-methyl-2-(methylsulfonyl)propyl]amino}benzonitrile | C12H14F2N2O2S

3,5-Difluoro-4-{[2-methyl-2-(methylsulfonyl)propyl]amino}benzonitrile

  • Molecular FormulaC12H14F2N2O2S
  • Average mass288.314 Da
  • Monoisotopic mass288.074402 Da
  • ChemSpider ID30449815

More details:

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

3,5-Difluor-4-{[2-methyl-2-(methylsulfonyl)propyl]amino}benzonitril [German] [ACD/IUPAC Name]
3,5-Difluoro-4-{[2-methyl-2-(methylsulfonyl)propyl]amino}benzonitrile [ACD/IUPAC Name]
3,5-Difluoro-4-{[2-méthyl-2-(méthylsulfonyl)propyl]amino}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3,5-difluoro-4-[[2-methyl-2-(methylsulfonyl)propyl]amino]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 464.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 234.5±28.7 °C
Index of Refraction: 1.525
Molar Refractivity: 67.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.45
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 4.02
ACD/KOC (pH 5.5): 94.28
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 4.02
ACD/KOC (pH 7.4): 94.28
Polar Surface Area: 78 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 219.1±5.0 cm3

Click to predict properties on the Chemicalize site


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