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

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

  • Molecular FormulaC18H12BrNO6
  • Average mass418.195 Da
  • Monoisotopic mass416.984802 Da
  • ChemSpider ID71279206

  • 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)-4-nitro-1H-inden-1,3(2H)-dion [German] [ACD/IUPAC Name]
(2Z)-2-(3-Bromo-5-ethoxy-4-hydroxybenzylidene)-4-nitro-1H-indene-1,3(2H)-dione [ACD/IUPAC Name]
(2Z)-2-(3-Bromo-5-éthoxy-4-hydroxybenzylidène)-4-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]-4-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: 593.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 312.9±30.1 °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): 496.98
ACD/KOC (pH 5.5): 2948.31
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 215.88
ACD/KOC (pH 7.4): 1280.70
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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