ChemSpider 2D Image | 5-tert-butyl-2-ethoxyphenylboronic acid | C12H19BO3

5-tert-butyl-2-ethoxyphenylboronic acid

  • Molecular FormulaC12H19BO3
  • Average mass222.089 Da
  • Monoisotopic mass222.142731 Da
  • ChemSpider ID26541393

More details:

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

(5-(tert-Butyl)-2-ethoxyphenyl)boronic acid
[2-Ethoxy-5-(2-methyl-2-propanyl)phenyl]boronic acid [ACD/IUPAC Name]
[2-Ethoxy-5-(2-methyl-2-propanyl)phenyl]borsäure [German] [ACD/IUPAC Name]
1217501-13-7 [RN]
5-tert-butyl-2-ethoxyphenylboronic acid
Acide [2-éthoxy-5-(2-méthyl-2-propanyl)phényl]boronique [French] [ACD/IUPAC Name]
B-[5-(1,1-Dimethylethyl)-2-ethoxyphenyl]boronic acid
Boronic acid, B-[5-(1,1-dimethylethyl)-2-ethoxyphenyl]- [ACD/Index Name]
MFCD13195648 [MDL number]
(3-Butoxy-4-methoxyphenyl)boronic acid [ACD/IUPAC Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 369.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.0±3.0 kJ/mol
Flash Point: 177.0±30.7 °C
Index of Refraction: 1.506
Molar Refractivity: 62.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 178.78
ACD/KOC (pH 5.5): 1424.75
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 169.93
ACD/KOC (pH 7.4): 1354.25
Polar Surface Area: 50 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 38.0±5.0 dyne/cm
Molar Volume: 211.5±5.0 cm3

Click to predict properties on the Chemicalize site


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