ChemSpider 2D Image | 4-Bromo-2-{(Z)-[2-(4-bromophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl (2E)-3-(3-nitrophenyl)acrylate | C25H14Br2N2O6

4-Bromo-2-{(Z)-[2-(4-bromophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl (2E)-3-(3-nitrophenyl)acrylate

  • Molecular FormulaC25H14Br2N2O6
  • Average mass598.196 Da
  • Monoisotopic mass595.921875 Da
  • ChemSpider ID109230102

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(3-Nitrophényl)acrylate de 4-bromo-2-{(Z)-[2-(4-bromophényl)-5-oxo-1,3-oxazol-4(5H)-ylidène]méthyl}phényle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-(3-nitrophenyl)-, 4-bromo-2-[(Z)-[2-(4-bromophenyl)-5-oxo-4(5H)-oxazolylidene]methyl]phenyl ester, (2E)- [ACD/Index Name]
4-Brom-2-{(Z)-[2-(4-bromphenyl)-5-oxo-1,3-oxazol-4(5H)-yliden]methyl}phenyl-(2E)-3-(3-nitrophenyl)acrylat [German] [ACD/IUPAC Name]
4-Bromo-2-{(Z)-[2-(4-bromophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl (2E)-3-(3-nitrophenyl)acrylate [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 699.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 376.7±34.3 °C
Index of Refraction: 1.671
Molar Refractivity: 135.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.48
ACD/LogD (pH 5.5): 6.46
ACD/BCF (pH 5.5): 47943.78
ACD/KOC (pH 5.5): 77992.04
ACD/LogD (pH 7.4): 6.46
ACD/BCF (pH 7.4): 47943.83
ACD/KOC (pH 7.4): 77992.13
Polar Surface Area: 111 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 58.0±7.0 dyne/cm
Molar Volume: 363.2±7.0 cm3

Click to predict properties on the Chemicalize site


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