ChemSpider 2D Image | 1-[1-(2,6-Difluorophenyl)-5-methyl-1H-1,2,4-triazol-3-yl]ethanone | C11H9F2N3O

1-[1-(2,6-Difluorophenyl)-5-methyl-1H-1,2,4-triazol-3-yl]ethanone

  • Molecular FormulaC11H9F2N3O
  • Average mass237.206 Da
  • Monoisotopic mass237.071365 Da
  • ChemSpider ID21391311

More details:

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

1-[1-(2,6-difluorophenyl)-5-methyl-1H-1,2,4-triazol-3-yl]ethan-1-one
1-[1-(2,6-Difluorophenyl)-5-methyl-1H-1,2,4-triazol-3-yl]ethanone [ACD/IUPAC Name]
1-[1-(2,6-Difluorophényl)-5-méthyl-1H-1,2,4-triazol-3-yl]éthanone [French] [ACD/IUPAC Name]
1-[1-(2,6-Difluorphenyl)-5-methyl-1H-1,2,4-triazol-3-yl]ethanon [German] [ACD/IUPAC Name]
1000572-09-7 [RN]
3-Acetyl-1-(2,6-difluorophenyl)-5-methyl-1H-1,2,4-triazole
Ethanone, 1-[1-(2,6-difluorophenyl)-5-methyl-1H-1,2,4-triazol-3-yl]- [ACD/Index Name]
T5NN DNJ AR BF FF& CV1 E1 [WLN]
1-(1-(2,6-Difluorophenyl)-5-methyl-1H-1,2,4-triazol-3-yl)ethanone
1-[1-(2,6-difluorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanone
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 383.6±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.2±3.0 kJ/mol
Flash Point: 185.8±30.7 °C
Index of Refraction: 1.585
Molar Refractivity: 58.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.81
ACD/KOC (pH 5.5): 203.76
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.81
ACD/KOC (pH 7.4): 203.76
Polar Surface Area: 48 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 38.5±7.0 dyne/cm
Molar Volume: 174.3±7.0 cm3

Click to predict properties on the Chemicalize site


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