ChemSpider 2D Image | 1-Benzothiophen-3-ylmethyl 2-fluorobenzoate | C16H11FO2S

1-Benzothiophen-3-ylmethyl 2-fluorobenzoate

  • Molecular FormulaC16H11FO2S
  • Average mass286.321 Da
  • Monoisotopic mass286.046387 Da
  • ChemSpider ID33528719

More details:

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

1-Benzothiophen-3-ylmethyl 2-fluorobenzoate [ACD/IUPAC Name]
1-Benzothiophen-3-ylmethyl-2-fluorbenzoat [German] [ACD/IUPAC Name]
2-Fluorobenzoate de 1-benzothiophén-3-ylméthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-fluoro-, benzo[b]thien-3-ylmethyl ester [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: 433.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 215.9±24.6 °C
Index of Refraction: 1.650
Molar Refractivity: 78.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4715.81
ACD/KOC (pH 5.5): 14829.43
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4715.81
ACD/KOC (pH 7.4): 14829.43
Polar Surface Area: 55 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 215.8±3.0 cm3

Click to predict properties on the Chemicalize site


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