ChemSpider 2D Image | 3-Bromo-N-(4-fluorobenzyl)-1-benzothiophene-2-carboxamide | C16H11BrFNOS

3-Bromo-N-(4-fluorobenzyl)-1-benzothiophene-2-carboxamide

  • Molecular FormulaC16H11BrFNOS
  • Average mass364.232 Da
  • Monoisotopic mass362.972870 Da
  • ChemSpider ID34530790

More details:

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

3-Brom-N-(4-fluorbenzyl)-1-benzothiophen-2-carboxamid [German] [ACD/IUPAC Name]
3-Bromo-N-(4-fluorobenzyl)-1-benzothiophene-2-carboxamide [ACD/IUPAC Name]
3-Bromo-N-(4-fluorobenzyl)-1-benzothiophène-2-carboxamide [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxamide, 3-bromo-N-[(4-fluorophenyl)methyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 532.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 275.9±30.1 °C
Index of Refraction: 1.677
Molar Refractivity: 88.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 3031.05
ACD/KOC (pH 5.5): 10807.35
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 3031.02
ACD/KOC (pH 7.4): 10807.24
Polar Surface Area: 57 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 234.5±3.0 cm3

Click to predict properties on the Chemicalize site


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