Found 3 results

Search term: JVJGQDCEBUVWGF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-[(5-Bromo-2-thienyl)methylene]-4,4-dimethyl-3-oxopentanenitrile | C12H12BrNOS

2-[(5-Bromo-2-thienyl)methylene]-4,4-dimethyl-3-oxopentanenitrile

  • Molecular FormulaC12H12BrNOS
  • Average mass298.199 Da
  • Monoisotopic mass296.982300 Da
  • ChemSpider ID35412249

More details:

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

2-[(5-Brom-2-thienyl)methylen]-4,4-dimethyl-3-oxopentannitril [German] [ACD/IUPAC Name]
2-[(5-Bromo-2-thienyl)methylene]-4,4-dimethyl-3-oxopentanenitrile [ACD/IUPAC Name]
2-[(5-Bromo-2-thiényl)méthylène]-4,4-diméthyl-3-oxopentanenitrile [French] [ACD/IUPAC Name]
Pentanenitrile, 2-[(5-bromo-2-thienyl)methylene]-4,4-dimethyl-3-oxo- [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: 405.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.7±3.0 kJ/mol
Flash Point: 199.1±28.7 °C
Index of Refraction: 1.596
Molar Refractivity: 71.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 597.68
ACD/KOC (pH 5.5): 3380.65
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 597.68
ACD/KOC (pH 7.4): 3380.65
Polar Surface Area: 69 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 209.0±3.0 cm3

Click to predict properties on the Chemicalize site


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