ChemSpider 2D Image | 5-Ethyl-1-(4-fluoro-3-methylphenyl)-1H-1,2,3-triazole-4-carboxylic acid | C12H12FN3O2

5-Ethyl-1-(4-fluoro-3-methylphenyl)-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC12H12FN3O2
  • Average mass249.241 Da
  • Monoisotopic mass249.091354 Da
  • ChemSpider ID24804109

More details:

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

1H-1,2,3-Triazole-4-carboxylic acid, 5-ethyl-1-(4-fluoro-3-methylphenyl)- [ACD/Index Name]
5-Ethyl-1-(4-fluor-3-methylphenyl)-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-Ethyl-1-(4-fluoro-3-methylphenyl)-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-éthyl-1-(4-fluoro-3-méthylphényl)-1H-1,2,3-triazole-4-carboxylique [French] [ACD/IUPAC Name]
[1239720-61-6] [RN]
1239720-61-6 [RN]
5-Ethyl-1-(4-fluoro-3-methyl-phenyl)-1H-[1,2,3]triazole-4-carboxylic acid
BS-4611
MFCD16874596 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 432.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 215.4±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 64.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.58
ACD/LogD (pH 7.4): -0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 68 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 184.7±7.0 cm3

Click to predict properties on the Chemicalize site


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