ChemSpider 2D Image | Ethyl 5-[(E)-(3,5-dibromo-2-hydroxybenzylidene)amino]-4-phenyl-1H-pyrazole-3-carboxylate | C19H15Br2N3O3

Ethyl 5-[(E)-(3,5-dibromo-2-hydroxybenzylidene)amino]-4-phenyl-1H-pyrazole-3-carboxylate

  • Molecular FormulaC19H15Br2N3O3
  • Average mass493.149 Da
  • Monoisotopic mass490.947998 Da
  • ChemSpider ID22996730

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrazole-3-carboxylic acid, 5-[[(1E)-(3,5-dibromo-2-hydroxyphenyl)methylene]amino]-4-phenyl-, ethyl ester [ACD/Index Name]
5-[(E)-(3,5-Dibromo-2-hydroxybenzylidène)amino]-4-phényl-1H-pyrazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-[(E)-(3,5-dibromo-2-hydroxybenzylidene)amino]-4-phenyl-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
Ethyl 5-{[(E)-(3,5-dibromo-2-hydroxyphenyl)methylene]amino}-4-phenyl-1H-pyrazole-3-carboxylate
Ethyl-5-[(E)-(3,5-dibrom-2-hydroxybenzyliden)amino]-4-phenyl-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
ethyl 5-[(1E)-2-(3,5-dibromo-2-hydroxyphenyl)-1-azavinyl]-4-phenylpyrazole-3-carboxylate
ethyl 5-{[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]amino}-4-phenyl-1H-pyrazole-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: 687.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 369.5±31.5 °C
Index of Refraction: 1.674
Molar Refractivity: 109.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.37
ACD/LogD (pH 5.5): 5.85
ACD/BCF (pH 5.5): 15633.73
ACD/KOC (pH 5.5): 32983.82
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 1015.47
ACD/KOC (pH 7.4): 2142.42
Polar Surface Area: 88 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 292.3±7.0 cm3

Click to predict properties on the Chemicalize site


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