ChemSpider 2D Image | N-(Cyanomethyl)-3-fluoro-5-methylbenzenesulfonamide | C9H9FN2O2S

N-(Cyanomethyl)-3-fluoro-5-methylbenzenesulfonamide

  • Molecular FormulaC9H9FN2O2S
  • Average mass228.243 Da
  • Monoisotopic mass228.036880 Da
  • ChemSpider ID30492456

More details:

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

Benzenesulfonamide, N-(cyanomethyl)-3-fluoro-5-methyl- [ACD/Index Name]
N-(Cyanmethyl)-3-fluor-5-methylbenzolsulfonamid [German] [ACD/IUPAC Name]
N-(Cyanomethyl)-3-fluoro-5-methylbenzenesulfonamide [ACD/IUPAC Name]
N-(Cyanométhyl)-3-fluoro-5-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
N-(CYANOMETHYL)-3-FLUORO-5-METHYLBENZENE-1-SULFONAMIDE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 401.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.3±3.0 kJ/mol
Flash Point: 196.8±31.5 °C
Index of Refraction: 1.536
Molar Refractivity: 53.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 3.34
ACD/KOC (pH 5.5): 80.41
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.94
Polar Surface Area: 78 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 170.4±3.0 cm3

Click to predict properties on the Chemicalize site


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