ChemSpider 2D Image | 1-[1,1-Bis(4-chlorophenyl)-3-butyn-1-yl]-1H-1,2,4-triazole | C18H13Cl2N3

1-[1,1-Bis(4-chlorophenyl)-3-butyn-1-yl]-1H-1,2,4-triazole

  • Molecular FormulaC18H13Cl2N3
  • Average mass342.222 Da
  • Monoisotopic mass341.048645 Da
  • ChemSpider ID28691359

More details:

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

1-[1,1-Bis(4-chlorophenyl)-3-butyn-1-yl]-1H-1,2,4-triazole [ACD/IUPAC Name]
1-[1,1-Bis(4-chlorophényl)-3-butyn-1-yl]-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
1-[1,1-Bis(4-chlorphenyl)-3-butin-1-yl]-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
1H-1,2,4-Triazole, 1-[1,1-bis(4-chlorophenyl)-3-butyn-1-yl]- [ACD/Index Name]
1-[1,1-Bis(4-chlorophenyl)but-3-yn-1-yl]-1H-1,2,4-triazole
1H-1,2,4-TRIAZOLE, 1-[1,1-BIS(4-CHLOROPHENYL)-3-BUTYNYL]-
88557-69-1 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 522.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 269.9±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 97.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.06
ACD/LogD (pH 5.5): 5.35
ACD/BCF (pH 5.5): 6859.03
ACD/KOC (pH 5.5): 19388.05
ACD/LogD (pH 7.4): 5.35
ACD/BCF (pH 7.4): 6861.97
ACD/KOC (pH 7.4): 19396.38
Polar Surface Area: 31 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 44.5±7.0 dyne/cm
Molar Volume: 280.1±7.0 cm3

Click to predict properties on the Chemicalize site


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