ChemSpider 2D Image | ({[(4-Fluoro-3,5-dimethylphenyl)sulfonyl]amino}methyl)boronic acid | C9H13BFNO4S

({[(4-Fluoro-3,5-dimethylphenyl)sulfonyl]amino}methyl)boronic acid

  • Molecular FormulaC9H13BFNO4S
  • Average mass261.078 Da
  • Monoisotopic mass261.064240 Da
  • ChemSpider ID72945775

More details:

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

({[(4-Fluor-3,5-dimethylphenyl)sulfonyl]amino}methyl)borsäure [German] [ACD/IUPAC Name]
({[(4-Fluoro-3,5-dimethylphenyl)sulfonyl]amino}methyl)boronic acid [ACD/IUPAC Name]
Acide ({[(4-fluoro-3,5-diméthylphényl)sulfonyl]amino}méthyl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[[[(4-fluoro-3,5-dimethylphenyl)sulfonyl]amino]methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 459.7±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: 1.529
Molar Refractivity: 59.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.73
ACD/KOC (pH 5.5): 177.43
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.67
ACD/KOC (pH 7.4): 176.30
Polar Surface Area: 95 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 193.7±3.0 cm3

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