ChemSpider 2D Image | 5-{3-[1-(2-Chlorobenzyl)-1H-pyrazol-3-yl]phenyl}pyrimidine | C20H15ClN4

5-{3-[1-(2-Chlorobenzyl)-1H-pyrazol-3-yl]phenyl}pyrimidine

  • Molecular FormulaC20H15ClN4
  • Average mass346.813 Da
  • Monoisotopic mass346.098511 Da
  • ChemSpider ID22346519

More details:






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

5-{3-[1-(2-Chlorbenzyl)-1H-pyrazol-3-yl]phenyl}pyrimidin [German] [ACD/IUPAC Name]
5-{3-[1-(2-Chlorobenzyl)-1H-pyrazol-3-yl]phenyl}pyrimidine [ACD/IUPAC Name]
5-{3-[1-(2-Chlorobenzyl)-1H-pyrazol-3-yl]phényl}pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 5-[3-[1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl]phenyl]- [ACD/Index Name]
5-(3-{1-[(2-CHLOROPHENYL)METHYL]-1H-PYRAZOL-3-YL}PHENYL)PYRIMIDINE
5-(3-{1-[(2-CHLOROPHENYL)METHYL]PYRAZOL-3-YL}PHENYL)PYRIMIDINE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 559.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 291.9±30.1 °C
Index of Refraction: 1.667
Molar Refractivity: 102.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 923.25
ACD/KOC (pH 5.5): 4614.79
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 923.42
ACD/KOC (pH 7.4): 4615.64
Polar Surface Area: 44 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 274.7±7.0 cm3

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