ChemSpider 2D Image | {[(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]methyl}boronic acid | C9H12BNO6S

{[(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]methyl}boronic acid

  • Molecular FormulaC9H12BNO6S
  • Average mass273.071 Da
  • Monoisotopic mass273.047852 Da
  • ChemSpider ID72945269

More details:

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

{[(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]methyl}boronic acid [ACD/IUPAC Name]
{[(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]methyl}borsäure [German] [ACD/IUPAC Name]
Acide {[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]méthyl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[[[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]amino]methyl]- [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: 511.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 262.9±32.9 °C
Index of Refraction: 1.571
Molar Refractivity: 61.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.44
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 3.13
ACD/KOC (pH 5.5): 78.69
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 3.11
ACD/KOC (pH 7.4): 78.24
Polar Surface Area: 113 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 185.9±3.0 cm3

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