ChemSpider 2D Image | {[(Benzylsulfonyl)amino]methyl}boronic acid | C8H12BNO4S

{[(Benzylsulfonyl)amino]methyl}boronic acid

  • Molecular FormulaC8H12BNO4S
  • Average mass229.061 Da
  • Monoisotopic mass229.058014 Da
  • ChemSpider ID25056562

More details:

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

{[(Benzylsulfonyl)amino]methyl}boronic acid [ACD/IUPAC Name]
{[(Benzylsulfonyl)amino]methyl}borsäure [German] [ACD/IUPAC Name]
Acide {[(benzylsulfonyl)amino]méthyl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[[[(phenylmethyl)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: 457.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 230.7±31.5 °C
Index of Refraction: 1.564
Molar Refractivity: 55.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.68
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.88
ACD/KOC (pH 5.5): 54.71
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.87
ACD/KOC (pH 7.4): 54.26
Polar Surface Area: 95 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 169.1±3.0 cm3

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