ChemSpider 2D Image | 1-(2-Fluoroethyl)-1H-1,2,3-triazole-4-carboxylic acid | C5H6FN3O2

1-(2-Fluoroethyl)-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC5H6FN3O2
  • Average mass159.118 Da
  • Monoisotopic mass159.044403 Da
  • ChemSpider ID48779048

More details:

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

1-(2-Fluorethyl)-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-(2-Fluoroethyl)-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-(2-fluoroethyl)- [ACD/Index Name]
Acide 1-(2-fluoroéthyl)-1H-1,2,3-triazole-4-carboxylique [French] [ACD/IUPAC Name]
1-(2-fluoroethyl)-1H-1,2,3-triazole-4-carboxylicacid
894793-00-1 [RN]
MFCD20659038

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

Density: 1.6±0.1 g/cm3
Boiling Point: 372.7±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 179.2±29.6 °C
Index of Refraction: 1.594
Molar Refractivity: 34.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.37
ACD/LogD (pH 5.5): -2.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 68 Å2
Polarizability: 13.7±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 102.1±7.0 cm3

Click to predict properties on the Chemicalize site


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