ChemSpider 2D Image | [2-(4-Methoxyphenyl)-5,7-dinitro-1-benzofuran-3-yl]acetic acid | C17H12N2O8

[2-(4-Methoxyphenyl)-5,7-dinitro-1-benzofuran-3-yl]acetic acid

  • Molecular FormulaC17H12N2O8
  • Average mass372.286 Da
  • Monoisotopic mass372.059357 Da
  • ChemSpider ID71301043

More details:

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

[2-(4-Methoxyphenyl)-5,7-dinitro-1-benzofuran-3-yl]acetic acid [ACD/IUPAC Name]
[2-(4-Methoxyphenyl)-5,7-dinitro-1-benzofuran-3-yl]essigsäure [German] [ACD/IUPAC Name]
3-Benzofuranacetic acid, 2-(4-methoxyphenyl)-5,7-dinitro- [ACD/Index Name]
Acide [2-(4-méthoxyphényl)-5,7-dinitro-1-benzofuran-3-yl]acétique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 613.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 325.0±31.5 °C
Index of Refraction: 1.667
Molar Refractivity: 91.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 2.22
ACD/KOC (pH 5.5): 17.47
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 66.4±3.0 dyne/cm
Molar Volume: 246.8±3.0 cm3

Click to predict properties on the Chemicalize site


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