ChemSpider 2D Image | N-(4-Chlorophenyl)-4-[(E)-2-(4-fluorophenyl)vinyl]-2-pyrimidinamine | C18H13ClFN3

N-(4-Chlorophenyl)-4-[(E)-2-(4-fluorophenyl)vinyl]-2-pyrimidinamine

  • Molecular FormulaC18H13ClFN3
  • Average mass325.767 Da
  • Monoisotopic mass325.078217 Da
  • ChemSpider ID28618500
  • Double-bond stereo - Double-bond stereo


More details:






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

2-Pyrimidinamine, N-(4-chlorophenyl)-4-[(E)-2-(4-fluorophenyl)ethenyl]- [ACD/Index Name]
N-(4-Chlorophenyl)-4-[(E)-2-(4-fluorophenyl)vinyl]-2-pyrimidinamine [ACD/IUPAC Name]
N-(4-Chlorophényl)-4-[(E)-2-(4-fluorophényl)vinyl]-2-pyrimidinamine [French] [ACD/IUPAC Name]
N-(4-Chlorphenyl)-4-[(E)-2-(4-fluorphenyl)vinyl]-2-pyrimidinamin [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 492.6±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 251.7±29.3 °C
Index of Refraction: 1.708
Molar Refractivity: 94.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 5.08
ACD/BCF (pH 5.5): 4277.57
ACD/KOC (pH 5.5): 13820.54
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 4287.16
ACD/KOC (pH 7.4): 13851.50
Polar Surface Area: 38 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 241.3±3.0 cm3

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