ChemSpider 2D Image | N-[2-Fluoro-4-(methylsulfamoyl)phenyl]-beta-alanine | C10H13FN2O4S

N-[2-Fluoro-4-(methylsulfamoyl)phenyl]-β-alanine

  • Molecular FormulaC10H13FN2O4S
  • Average mass276.285 Da
  • Monoisotopic mass276.058014 Da
  • ChemSpider ID57936299

More details:

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

N-[2-Fluor-4-(methylsulfamoyl)phenyl]-β-alanin [German] [ACD/IUPAC Name]
N-[2-Fluoro-4-(methylsulfamoyl)phenyl]-β-alanine [ACD/IUPAC Name]
N-[2-Fluoro-4-(méthylsulfamoyl)phényl]-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[2-fluoro-4-[(methylamino)sulfonyl]phenyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 494.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 252.9±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 63.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.04
ACD/LogD (pH 7.4): -2.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 191.3±3.0 cm3

Click to predict properties on the Chemicalize site


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