ChemSpider 2D Image | 1-(3-Fluoropropyl)-1H-1,2,3-triazole-4-carboxylic acid | C6H8FN3O2

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

  • Molecular FormulaC6H8FN3O2
  • Average mass173.145 Da
  • Monoisotopic mass173.060059 Da
  • ChemSpider ID36606563

More details:

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

1-(3-Fluoropropyl)-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
1-(3-Fluorpropyl)-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-(3-fluoropropyl)- [ACD/Index Name]
Acide 1-(3-fluoropropyl)-1H-1,2,3-triazole-4-carboxylique [French] [ACD/IUPAC Name]
1526742-53-9 [RN]
MFCD24050261

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

Density: 1.5±0.1 g/cm3
Boiling Point: 373.4±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.5±3.0 kJ/mol
Flash Point: 179.6±29.6 °C
Index of Refraction: 1.579
Molar Refractivity: 39.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.06
ACD/LogD (pH 5.5): -1.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 68 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 118.3±7.0 cm3

Click to predict properties on the Chemicalize site


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