ChemSpider 2D Image | 1-{2-[1-(3-Chloro-2-methylphenyl)-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-5-yl]ethyl}-1H-tetrazole | C17H20ClN7O

1-{2-[1-(3-Chloro-2-methylphenyl)-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-5-yl]ethyl}-1H-tetrazole

  • Molecular FormulaC17H20ClN7O
  • Average mass373.840 Da
  • Monoisotopic mass373.141785 Da
  • ChemSpider ID30972456

More details:






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

1-{2-[1-(3-Chlor-2-methylphenyl)-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-5-yl]ethyl}-1H-tetrazol [German] [ACD/IUPAC Name]
1-{2-[1-(3-Chloro-2-methylphenyl)-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-5-yl]ethyl}-1H-tetrazole [ACD/IUPAC Name]
1-{2-[1-(3-Chloro-2-méthylphényl)-3-(tétrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-5-yl]éthyl}-1H-tétrazole [French] [ACD/IUPAC Name]
1H-Tetrazole, 1-[2-[1-(3-chloro-2-methylphenyl)-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-5-yl]ethyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 625.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 332.2±34.3 °C
Index of Refraction: 1.721
Molar Refractivity: 99.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.62
ACD/KOC (pH 5.5): 544.40
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.63
ACD/KOC (pH 7.4): 544.54
Polar Surface Area: 84 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 252.2±7.0 cm3

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