ChemSpider 2D Image | 3'-[(2E)-2-(1-{3,4-Bis[(~2~H_3_)methyl](~2~H_3_)phenyl}-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazino]-2'-hydroxy-3-biphenylcarboxylic acid | C25H13D9N4O4

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

  • Molecular FormulaC25H13D9N4O4
  • Average mass451.522 Da
  • Monoisotopic mass451.220581 Da
  • ChemSpider ID111126764

  • 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]-3-carboxylic acid, 3'-[(2E)-2-[1-[4,5-di(methyl-d3)phenyl-2,3,6-d3]-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]hydrazinyl]-2'-hydroxy- [ACD/Index Name]
3'-[(2E)-2-(1-{3,4-Bis[(2H3)methyl](2H3)phenyl}-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)hydrazino]-2'-hydroxy-3-biphenylcarbonsäure [German] [ACD/IUPAC Name]
3'-[(2E)-2-(1-{3,4-Bis[(2H3)methyl](2H3)phenyl}-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazino]-2'-hydroxy-3-biphenylcarboxylic acid [ACD/IUPAC Name]
Acide 3'-[(2E)-2-(1-{3,4-bis[(2H3)méthyl](2H3)phényl}-3-méthyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidène)hydrazino]-2'-hydroxy-3-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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