ChemSpider 2D Image | 3-Amino-5-[1-(2-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-4'-methyl-2,4-biphenyldicarbonitrile | C24H17ClN6

3-Amino-5-[1-(2-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-4'-methyl-2,4-biphenyldicarbonitrile

  • Molecular FormulaC24H17ClN6
  • Average mass424.885 Da
  • Monoisotopic mass424.120331 Da
  • ChemSpider ID24742186

More details:

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

[1,1'-Biphenyl]-2,4-dicarbonitrile, 3-amino-5-[1-(2-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-4'-methyl- [ACD/Index Name]
3-Amino-5-[1-(2-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-4'-methyl-2,4-biphenyldicarbonitrile [ACD/IUPAC Name]
3-Amino-5-[1-(2-chlorophényl)-5-méthyl-1H-1,2,3-triazol-4-yl]-4'-méthyl-2,4-biphényldicarbonitrile [French] [ACD/IUPAC Name]
3-Amino-5-[1-(2-chlorphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-4'-methyl-2,4-biphenyldicarbonitril [German] [ACD/IUPAC 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: 688.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 370.1±34.3 °C
Index of Refraction: 1.687
Molar Refractivity: 123.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1967.15
ACD/KOC (pH 5.5): 7930.94
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1967.15
ACD/KOC (pH 7.4): 7930.94
Polar Surface Area: 104 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 322.7±7.0 cm3

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