ChemSpider 2D Image | 3-({[(Dihydroxyboryl)methyl]sulfamoyl}methyl)benzoic acid | C9H12BNO6S

3-({[(Dihydroxyboryl)methyl]sulfamoyl}methyl)benzoic acid

  • Molecular FormulaC9H12BNO6S
  • Average mass273.071 Da
  • Monoisotopic mass273.047852 Da
  • ChemSpider ID35033406

More details:






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

3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid
3-({[(Dihydroxyboryl)methyl]sulfamoyl}methyl)benzoesäure [German] [ACD/IUPAC Name]
3-({[(Dihydroxyboryl)methyl]sulfamoyl}methyl)benzoic acid [ACD/IUPAC Name]
Acide 3-({[(dihydroxyboryl)méthyl]sulfamoyl}méthyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[[(boronomethyl)amino]sulfonyl]methyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 588.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 309.4±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 61.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.36
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.75
ACD/LogD (pH 7.4): -2.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 71.2±3.0 dyne/cm
Molar Volume: 181.6±3.0 cm3

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