ChemSpider 2D Image | ({[(6-Methyl-1,3-benzodioxol-5-yl)sulfonyl]amino}methyl)boronic acid | C9H12BNO6S

({[(6-Methyl-1,3-benzodioxol-5-yl)sulfonyl]amino}methyl)boronic acid

  • Molecular FormulaC9H12BNO6S
  • Average mass273.071 Da
  • Monoisotopic mass273.047852 Da
  • ChemSpider ID72946317

More details:

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

({[(6-Methyl-1,3-benzodioxol-5-yl)sulfonyl]amino}methyl)boronic acid [ACD/IUPAC Name]
({[(6-Methyl-1,3-benzodioxol-5-yl)sulfonyl]amino}methyl)borsäure [German] [ACD/IUPAC Name]
Acide ({[(6-méthyl-1,3-benzodioxol-5-yl)sulfonyl]amino}méthyl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[[[(6-methyl-1,3-benzodioxol-5-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: 512.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 263.4±32.9 °C
Index of Refraction: 1.576
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: 1.49
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.07
ACD/KOC (pH 5.5): 77.75
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.06
ACD/KOC (pH 7.4): 77.32
Polar Surface Area: 113 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 184.4±3.0 cm3

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