ChemSpider 2D Image | [3-(Bromomethyl)-5-formyl-1-benzothiophen-7-yl]acetonitrile | C12H8BrNOS

[3-(Bromomethyl)-5-formyl-1-benzothiophen-7-yl]acetonitrile

  • Molecular FormulaC12H8BrNOS
  • Average mass294.167 Da
  • Monoisotopic mass292.950989 Da
  • ChemSpider ID62223591

More details:

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

[3-(Brommethyl)-5-formyl-1-benzothiophen-7-yl]acetonitril [German] [ACD/IUPAC Name]
[3-(Bromomethyl)-5-formyl-1-benzothiophen-7-yl]acetonitrile [ACD/IUPAC Name]
[3-(Bromométhyl)-5-formyl-1-benzothiophén-7-yl]acétonitrile [French] [ACD/IUPAC Name]
Benzo[b]thiophene-7-acetonitrile, 3-(bromomethyl)-5-formyl- [ACD/Index Name]
2090293-93-7 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 481.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±3.0 kJ/mol
Flash Point: 244.7±28.7 °C
Index of Refraction: 1.721
Molar Refractivity: 71.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 287.80
ACD/KOC (pH 5.5): 2003.63
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 287.80
ACD/KOC (pH 7.4): 2003.63
Polar Surface Area: 69 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 65.5±3.0 dyne/cm
Molar Volume: 180.4±3.0 cm3

Click to predict properties on the Chemicalize site


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