ChemSpider 2D Image | 2-Benzothiophen-4-ylboronic acid | C8H7BO2S

2-Benzothiophen-4-ylboronic acid

  • Molecular FormulaC8H7BO2S
  • Average mass178.016 Da
  • Monoisotopic mass178.025986 Da
  • ChemSpider ID74936390

More details:

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

2-Benzothiophen-4-ylboronic acid [ACD/IUPAC Name]
2-Benzothiophen-4-ylborsäure [German] [ACD/IUPAC Name]
Acide 2-benzothiophén-4-ylboronique [French] [ACD/IUPAC Name]
Boronic acid, B-benzo[c]thien-4-yl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 401.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.8±3.0 kJ/mol
Flash Point: 196.7±26.5 °C
Index of Refraction: 1.669
Molar Refractivity: 49.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.63
ACD/KOC (pH 5.5): 412.27
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 28.56
ACD/KOC (pH 7.4): 372.35
Polar Surface Area: 69 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 131.3±5.0 cm3

Click to predict properties on the Chemicalize site


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