ChemSpider 2D Image | 3'-{(2E)-2-[1-(3,4-Dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}-2'-hydroxy-3-(4',5',6'-~2~H_3_)biphenylcarboxylic acid | C25H19D3N4O4

3'-{(2E)-2-[1-(3,4-Dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}-2'-hydroxy-3-(4',5',6'-2H3)biphenylcarboxylic acid

  • Molecular FormulaC25H19D3N4O4
  • Average mass445.485 Da
  • Monoisotopic mass445.182922 Da
  • ChemSpider ID111127260

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

[1,1'-Biphenyl-2',3',4'-d3]-3-carboxylic acid, 5'-[(2E)-2-[1-(3,4-dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]hydrazinyl]-6'-hydroxy- [ACD/Index Name]
3'-{(2E)-2-[1-(3,4-Dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden]hydrazino}-2'-hydroxy-3-(4',5',6'-2H3)biphenylcarbonsäure [German] [ACD/IUPAC Name]
3'-{(2E)-2-[1-(3,4-Dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}-2'-hydroxy-3-(4',5',6'-2H3)biphenylcarboxylic acid [ACD/IUPAC Name]
Acide 3'-{(2E)-2-[1-(3,4-diméthylphényl)-3-méthyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidène]hydrazino}-2'-hydroxy-3-(4',5',6'-2H3)biphénylcarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 656.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 351.0±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 123.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 18.82
ACD/KOC (pH 5.5): 107.04
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.56
Polar Surface Area: 115 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 52.5±7.0 dyne/cm
Molar Volume: 332.0±7.0 cm3

Click to predict properties on the Chemicalize site


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