Found 16 results

Search term: MF = 'C_{9}H_{13}BO_{4}S'
ChemSpider 2D Image | {4-Methyl-3-[(methylsulfonyl)methyl]phenyl}boronic acid | C9H13BO4S

{4-Methyl-3-[(methylsulfonyl)methyl]phenyl}boronic acid

  • Molecular FormulaC9H13BO4S
  • Average mass228.073 Da
  • Monoisotopic mass228.062759 Da
  • ChemSpider ID110767410

More details:

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

{4-Methyl-3-[(methylsulfonyl)methyl]phenyl}boronic acid [ACD/IUPAC Name]
{4-Methyl-3-[(methylsulfonyl)methyl]phenyl}borsäure [German] [ACD/IUPAC Name]
Acide {4-méthyl-3-[(méthylsulfonyl)méthyl]phényl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[4-methyl-3-[(methylsulfonyl)methyl]phenyl]- [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: 509.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 262.0±32.9 °C
Index of Refraction: 1.551
Molar Refractivity: 56.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.52
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 2.21
ACD/KOC (pH 5.5): 61.36
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.96
ACD/KOC (pH 7.4): 54.40
Polar Surface Area: 83 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 175.5±5.0 cm3

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