ChemSpider 2D Image | 3-[(5-Bromo-2-thienyl)methoxy]benzonitrile | C12H8BrNOS

3-[(5-Bromo-2-thienyl)methoxy]benzonitrile

  • Molecular FormulaC12H8BrNOS
  • Average mass294.167 Da
  • Monoisotopic mass292.950989 Da
  • ChemSpider ID24015013

More details:

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

3-[(5-Brom-2-thienyl)methoxy]benzonitril [German] [ACD/IUPAC Name]
3-[(5-Bromo-2-thienyl)methoxy]benzonitrile [ACD/IUPAC Name]
3-[(5-Bromo-2-thiényl)méthoxy]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-[(5-bromo-2-thienyl)methoxy]- [ACD/Index Name]
3-[(5-bromothiophen-2-yl)methoxy]benzonitrile

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

Density: 1.6±0.1 g/cm3
Boiling Point: 402.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.3±3.0 kJ/mol
Flash Point: 197.1±27.3 °C
Index of Refraction: 1.655
Molar Refractivity: 68.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 365.45
ACD/KOC (pH 5.5): 2377.26
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 365.45
ACD/KOC (pH 7.4): 2377.26
Polar Surface Area: 61 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 61.8±5.0 dyne/cm
Molar Volume: 185.9±5.0 cm3

Click to predict properties on the Chemicalize site


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