ChemSpider 2D Image | [4-(4-Methylphenyl)-2-thienyl]boronic acid | C11H11BO2S

[4-(4-Methylphenyl)-2-thienyl]boronic acid

  • Molecular FormulaC11H11BO2S
  • Average mass218.080 Da
  • Monoisotopic mass218.057281 Da
  • ChemSpider ID27459163

More details:

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

[4-(4-Methylphenyl)-2-thienyl]boronic acid [ACD/IUPAC Name]
[4-(4-Methylphenyl)-2-thienyl]borsäure [German] [ACD/IUPAC Name]
Acide [4-(4-méthylphényl)-2-thiényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[4-(4-methylphenyl)-2-thienyl]- [ACD/Index Name]
[4-(4-METHYLPHENYL)THIOPHEN-2-YL]BORONIC ACID
4-(4-METHYLPHENYL)THIOPHEN-2-YLBORONIC ACID
4-(4-Tolyl)thiophene-2-boronic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 390.9±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 190.2±28.4 °C
Index of Refraction: 1.619
Molar Refractivity: 60.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 105.44
ACD/KOC (pH 5.5): 976.02
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 92.35
ACD/KOC (pH 7.4): 854.79
Polar Surface Area: 69 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 173.2±5.0 cm3

Click to predict properties on the Chemicalize site


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