ChemSpider 2D Image | {4-Methoxy-2-[(4-pyridinylsulfanyl)methyl]phenyl}boronic acid | C13H14BNO3S

{4-Methoxy-2-[(4-pyridinylsulfanyl)methyl]phenyl}boronic acid

  • Molecular FormulaC13H14BNO3S
  • Average mass275.131 Da
  • Monoisotopic mass275.078735 Da
  • ChemSpider ID35616777

More details:

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

{4-Methoxy-2-[(4-pyridinylsulfanyl)methyl]phenyl}boronic acid [ACD/IUPAC Name]
{4-Methoxy-2-[(4-pyridinylsulfanyl)methyl]phenyl}borsäure [German] [ACD/IUPAC Name]
Acide {4-méthoxy-2-[(4-pyridinylsulfanyl)méthyl]phényl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[4-methoxy-2-[(4-pyridinylthio)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: 506.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 260.2±32.9 °C
Index of Refraction: 1.622
Molar Refractivity: 74.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 21.54
ACD/KOC (pH 5.5): 297.71
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 24.82
ACD/KOC (pH 7.4): 343.01
Polar Surface Area: 88 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 212.4±5.0 cm3

Click to predict properties on the Chemicalize site


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