ChemSpider 2D Image | N-[(5-Fluoro-3-pyridinyl)sulfonyl]-beta-alanine | C8H9FN2O4S

N-[(5-Fluoro-3-pyridinyl)sulfonyl]-β-alanine

  • Molecular FormulaC8H9FN2O4S
  • Average mass248.232 Da
  • Monoisotopic mass248.026703 Da
  • ChemSpider ID38859484

More details:

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

N-[(5-Fluor-3-pyridinyl)sulfonyl]-β-alanin [German] [ACD/IUPAC Name]
N-[(5-Fluoro-3-pyridinyl)sulfonyl]-β-alanine [ACD/IUPAC Name]
N-[(5-Fluoro-3-pyridinyl)sulfonyl]-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[(5-fluoro-3-pyridinyl)sulfonyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 459.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 231.8±31.5 °C
Index of Refraction: 1.551
Molar Refractivity: 52.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.10
ACD/LogD (pH 5.5): -1.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 165.1±3.0 cm3

Click to predict properties on the Chemicalize site


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