ChemSpider 2D Image | [({[2-(4-Fluorophenyl)ethyl]sulfonyl}amino)methyl]boronic acid | C9H13BFNO4S

[({[2-(4-Fluorophenyl)ethyl]sulfonyl}amino)methyl]boronic acid

  • Molecular FormulaC9H13BFNO4S
  • Average mass261.078 Da
  • Monoisotopic mass261.064240 Da
  • ChemSpider ID72946656

More details:

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

[({[2-(4-Fluorophenyl)ethyl]sulfonyl}amino)methyl]boronic acid [ACD/IUPAC Name]
[({[2-(4-Fluorphenyl)ethyl]sulfonyl}amino)methyl]borsäure [German] [ACD/IUPAC Name]
Acide [({[2-(4-fluorophényl)éthyl]sulfonyl}amino)méthyl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[[[[2-(4-fluorophenyl)ethyl]sulfonyl]amino]methyl]- [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: 470.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 238.4±31.5 °C
Index of Refraction: 1.542
Molar Refractivity: 59.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 3.13
ACD/KOC (pH 5.5): 78.79
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 3.11
ACD/KOC (pH 7.4): 78.33
Polar Surface Area: 95 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 189.8±3.0 cm3

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