ChemSpider 2D Image | (2Z)-2-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-5-nitro-1H-indene-1,3(2H)-dione | C18H12BrNO6

(2Z)-2-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-5-nitro-1H-indene-1,3(2H)-dione

  • Molecular FormulaC18H12BrNO6
  • Average mass418.195 Da
  • Monoisotopic mass416.984802 Da
  • ChemSpider ID71279205

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-(3-Brom-5-ethoxy-4-hydroxybenzyliden)-5-nitro-1H-inden-1,3(2H)-dion [German] [ACD/IUPAC Name]
(2Z)-2-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-5-nitro-1H-indene-1,3(2H)-dione [ACD/IUPAC Name]
(2Z)-2-(3-Bromo-5-éthoxy-4-hydroxybenzylidène)-5-nitro-1H-indène-1,3(2H)-dione [French] [ACD/IUPAC Name]
1H-Indene-1,3(2H)-dione, 2-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylene]-5-nitro-, (2Z)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 600.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 317.0±31.5 °C
Index of Refraction: 1.715
Molar Refractivity: 96.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 496.60
ACD/KOC (pH 5.5): 2946.07
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 210.37
ACD/KOC (pH 7.4): 1248.04
Polar Surface Area: 109 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 74.2±3.0 dyne/cm
Molar Volume: 246.3±3.0 cm3

Click to predict properties on the Chemicalize site


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