ChemSpider 2D Image | 3-(6-Chloro-1-benzofuran-5-yl)-3-oxopropanenitrile | C11H6ClNO2

3-(6-Chloro-1-benzofuran-5-yl)-3-oxopropanenitrile

  • Molecular FormulaC11H6ClNO2
  • Average mass219.624 Da
  • Monoisotopic mass219.008713 Da
  • ChemSpider ID62012130

More details:

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

3-(6-Chlor-1-benzofuran-5-yl)-3-oxopropannitril [German] [ACD/IUPAC Name]
3-(6-Chloro-1-benzofuran-5-yl)-3-oxopropanenitrile [ACD/IUPAC Name]
3-(6-Chloro-1-benzofuran-5-yl)-3-oxopropanenitrile [French] [ACD/IUPAC Name]
5-Benzofuranpropanenitrile, 6-chloro-β-oxo- [ACD/Index Name]
2092177-17-6 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 367.6±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.4±3.0 kJ/mol
Flash Point: 176.1±25.1 °C
Index of Refraction: 1.617
Molar Refractivity: 55.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 30.68
ACD/KOC (pH 5.5): 398.53
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 7.09
ACD/KOC (pH 7.4): 92.14
Polar Surface Area: 54 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 159.7±3.0 cm3

Click to predict properties on the Chemicalize site


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