ChemSpider 2D Image | 1-{[3-(Difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-phenyl-1,4-dihydro-5H-tetrazol-5-one | C13H12F2N6O

1-{[3-(Difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-phenyl-1,4-dihydro-5H-tetrazol-5-one

  • Molecular FormulaC13H12F2N6O
  • Average mass306.271 Da
  • Monoisotopic mass306.104065 Da
  • ChemSpider ID64941618

More details:

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

1-{[3-(Difluormethyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-phenyl-1,4-dihydro-5H-tetrazol-5-on [German] [ACD/IUPAC Name]
1-{[3-(Difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-phenyl-1,4-dihydro-5H-tetrazol-5-one [ACD/IUPAC Name]
1-{[3-(Difluorométhyl)-1-méthyl-1H-pyrazol-4-yl]méthyl}-4-phényl-1,4-dihydro-5H-tétrazol-5-one [French] [ACD/IUPAC Name]
5H-Tetrazol-5-one, 1-[[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methyl]-1,4-dihydro-4-phenyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 412.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.5±3.0 kJ/mol
Flash Point: 203.4±31.5 °C
Index of Refraction: 1.666
Molar Refractivity: 76.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.15
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.27
ACD/KOC (pH 5.5): 157.84
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.27
ACD/KOC (pH 7.4): 157.84
Polar Surface Area: 66 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 52.5±7.0 dyne/cm
Molar Volume: 205.1±7.0 cm3

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