ChemSpider 2D Image | 2-[(E)-2-(2-Bromophenyl)vinyl]-4-(1-methyl-1H-pyrazol-4-yl)pyrimidine | C16H13BrN4

2-[(E)-2-(2-Bromophenyl)vinyl]-4-(1-methyl-1H-pyrazol-4-yl)pyrimidine

  • Molecular FormulaC16H13BrN4
  • Average mass341.205 Da
  • Monoisotopic mass340.032349 Da
  • ChemSpider ID30406201
  • Double-bond stereo - Double-bond stereo


More details:






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

2-[(E)-2-(2-Bromophenyl)vinyl]-4-(1-methyl-1H-pyrazol-4-yl)pyrimidine [ACD/IUPAC Name]
2-[(E)-2-(2-Bromophényl)vinyl]-4-(1-méthyl-1H-pyrazol-4-yl)pyrimidine [French] [ACD/IUPAC Name]
2-[(E)-2-(2-Bromphenyl)vinyl]-4-(1-methyl-1H-pyrazol-4-yl)pyrimidin [German] [ACD/IUPAC Name]
Pyrimidine, 2-[(E)-2-(2-bromophenyl)ethenyl]-4-(1-methyl-1H-pyrazol-4-yl)- [ACD/Index Name]
2-[(E)-2-(2-BROMOPHENYL)ETHENYL]-4-(1-METHYL-1H-PYRAZOL-4-YL)PYRIMIDINE
2-[(E)-2-(2-BROMOPHENYL)ETHENYL]-4-(1-METHYLPYRAZOL-4-YL)PYRIMIDINE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 419.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 207.7±28.7 °C
Index of Refraction: 1.661
Molar Refractivity: 89.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 73.02
ACD/KOC (pH 5.5): 750.72
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 73.02
ACD/KOC (pH 7.4): 750.72
Polar Surface Area: 44 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 241.3±7.0 cm3

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