ChemSpider 2D Image | Methyl (4Z)-4-(4-bromobenzylidene)-1-(3-bromophenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate | C20H15Br2NO3

Methyl (4Z)-4-(4-bromobenzylidene)-1-(3-bromophenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

  • Molecular FormulaC20H15Br2NO3
  • Average mass477.146 Da
  • Monoisotopic mass474.941864 Da
  • ChemSpider ID57288273

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z)-4-(4-Bromobenzylidène)-1-(3-bromophényl)-2-méthyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrrole-3-carboxylic acid, 1-(3-bromophenyl)-4-[(4-bromophenyl)methylene]-4,5-dihydro-2-methyl-5-oxo-, methyl ester, (4Z)- [ACD/Index Name]
Methyl (4Z)-4-(4-bromobenzylidene)-1-(3-bromophenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Methyl-(4Z)-4-(4-brombenzyliden)-1-(3-bromphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrol-3-carboxylat [German] [ACD/IUPAC Name]
METHYL (4Z)-1-(3-BROMOPHENYL)-4-[(4-BROMOPHENYL)METHYLIDENE]-2-METHYL-5-OXOPYRROLE-3-CARBOXYLATE

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

Density: 1.7±0.1 g/cm3
Boiling Point: 576.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 302.3±30.1 °C
Index of Refraction: 1.674
Molar Refractivity: 107.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2670.48
ACD/KOC (pH 5.5): 9870.70
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2670.48
ACD/KOC (pH 7.4): 9870.70
Polar Surface Area: 47 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 287.5±3.0 cm3

Click to predict properties on the Chemicalize site


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