ChemSpider 2D Image | (4-Chloro-7-methoxy-1-benzofuran-5-yl)(oxo)acetonitrile | C11H6ClNO3

(4-Chloro-7-methoxy-1-benzofuran-5-yl)(oxo)acetonitrile

  • Molecular FormulaC11H6ClNO3
  • Average mass235.623 Da
  • Monoisotopic mass235.003616 Da
  • ChemSpider ID61981752

More details:

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

(4-Chlor-7-methoxy-1-benzofuran-5-yl)(oxo)acetonitril [German] [ACD/IUPAC Name]
(4-Chloro-7-methoxy-1-benzofuran-5-yl)(oxo)acetonitrile [ACD/IUPAC Name]
(4-Chloro-7-méthoxy-1-benzofuran-5-yl)(oxo)acétonitrile [French] [ACD/IUPAC Name]
5-Benzofuranacetonitrile, 4-chloro-7-methoxy-α-oxo- [ACD/Index Name]
2092314-40-2 [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: 380.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.9±3.0 kJ/mol
Flash Point: 184.2±27.9 °C
Index of Refraction: 1.609
Molar Refractivity: 57.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.30
ACD/KOC (pH 5.5): 558.46
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.30
ACD/KOC (pH 7.4): 558.46
Polar Surface Area: 63 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 167.2±3.0 cm3

Click to predict properties on the Chemicalize site


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