ChemSpider 2D Image | 5-(2,4-Dihydroxy-1H-imidazol-5-yl)-1-penten-3-yne-2-sulfonyl fluoride | C8H7FN2O4S

5-(2,4-Dihydroxy-1H-imidazol-5-yl)-1-penten-3-yne-2-sulfonyl fluoride

  • Molecular FormulaC8H7FN2O4S
  • Average mass246.216 Da
  • Monoisotopic mass246.011063 Da
  • ChemSpider ID91844367

More details:

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

1-Penten-3-yne-2-sulfonyl fluoride, 5-(2,4-dihydroxy-1H-imidazol-5-yl)- [ACD/Index Name]
5-(2,4-Dihydroxy-1H-imidazol-5-yl)-1-penten-3-in-2-sulfonylfluorid [German] [ACD/IUPAC Name]
5-(2,4-Dihydroxy-1H-imidazol-5-yl)-1-penten-3-yne-2-sulfonyl fluoride [ACD/IUPAC Name]
Fluorure de 5-(2,4-dihydroxy-1H-imidazol-5-yl)-1-pentén-3-yne-2-sulfonyle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 608.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 321.5±34.3 °C
Index of Refraction: 1.624
Molar Refractivity: 51.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): -1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 87.5±3.0 dyne/cm
Molar Volume: 144.9±3.0 cm3

Click to predict properties on the Chemicalize site


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