ChemSpider 2D Image | (2E)-3-[(3-Bromophenyl)amino]-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-buten-1-one | C20H18BrN3O2

(2E)-3-[(3-Bromophenyl)amino]-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-buten-1-one

  • Molecular FormulaC20H18BrN3O2
  • Average mass412.280 Da
  • Monoisotopic mass411.058228 Da
  • ChemSpider ID30657546

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[(3-Bromophenyl)amino]-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-buten-1-one [ACD/IUPAC Name]
(2E)-3-[(3-Bromophényl)amino]-1-(5-hydroxy-3-méthyl-1-phényl-1H-pyrazol-4-yl)-2-butén-1-one [French] [ACD/IUPAC Name]
(2E)-3-[(3-Bromphenyl)amino]-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-buten-1-on [German] [ACD/IUPAC Name]
2-Buten-1-one, 3-[(3-bromophenyl)amino]-1-(5-hydroxy-3-methyl-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: 1.4±0.1 g/cm3
Boiling Point: 562.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 293.9±30.1 °C
Index of Refraction: 1.639
Molar Refractivity: 106.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2420.05
ACD/KOC (pH 5.5): 8860.33
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 227.95
ACD/KOC (pH 7.4): 834.58
Polar Surface Area: 67 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 294.5±7.0 cm3

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