ChemSpider 2D Image | (2E)-1-(2,4-Dichlorophenyl)-3-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-propen-1-one | C25H18Cl2N2O2

(2E)-1-(2,4-Dichlorophenyl)-3-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-propen-1-one

  • Molecular FormulaC25H18Cl2N2O2
  • Average mass449.329 Da
  • Monoisotopic mass448.074524 Da
  • ChemSpider ID30657123

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-(2,4-Dichlorophenyl)-3-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-(2,4-Dichlorophényl)-3-[3-(4-méthoxyphényl)-1-phényl-1H-pyrazol-4-yl]-2-propén-1-one [French] [ACD/IUPAC Name]
(2E)-1-(2,4-Dichlorphenyl)-3-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-propen-1-on [German] [ACD/IUPAC Name]
2-Propen-1-one, 1-(2,4-dichlorophenyl)-3-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-, (2E)- [ACD/Index 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: 642.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.1±31.5 °C
Index of Refraction: 1.621
Molar Refractivity: 125.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.83
ACD/LogD (pH 5.5): 6.22
ACD/BCF (pH 5.5): 31652.82
ACD/KOC (pH 5.5): 57940.14
ACD/LogD (pH 7.4): 6.22
ACD/BCF (pH 7.4): 31652.82
ACD/KOC (pH 7.4): 57940.14
Polar Surface Area: 44 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 357.7±7.0 cm3

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