ChemSpider 2D Image | (1-Ethyl-1H-1,2,4-triazol-5-yl)(fluoro)acetic acid | C6H8FN3O2

(1-Ethyl-1H-1,2,4-triazol-5-yl)(fluoro)acetic acid

  • Molecular FormulaC6H8FN3O2
  • Average mass173.145 Da
  • Monoisotopic mass173.060059 Da
  • ChemSpider ID60930515

More details:

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

(1-Ethyl-1H-1,2,4-triazol-5-yl)(fluor)essigsäure [German] [ACD/IUPAC Name]
(1-Ethyl-1H-1,2,4-triazol-5-yl)(fluoro)acetic acid [ACD/IUPAC Name]
1H-1,2,4-Triazole-5-acetic acid, 1-ethyl-α-fluoro- [ACD/Index Name]
Acide (1-éthyl-1H-1,2,4-triazol-5-yl)(fluoro)acétique [French] [ACD/IUPAC Name]
1872839-60-5 [RN]
2-(1-ethyl-1H-1,2,4-triazol-5-yl)-2-fluoroacetic acid
MFCD32141736

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

Density: 1.5±0.1 g/cm3
Boiling Point: 372.9±52.0 °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: 179.3±30.7 °C
Index of Refraction: 1.580
Molar Refractivity: 39.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.27
ACD/LogD (pH 5.5): -3.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 68 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 117.4±7.0 cm3

Click to predict properties on the Chemicalize site


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