ChemSpider 2D Image | Fluoro(4-methyl-4H-1,2,4-triazol-3-yl)acetic acid | C5H6FN3O2

Fluoro(4-methyl-4H-1,2,4-triazol-3-yl)acetic acid

  • Molecular FormulaC5H6FN3O2
  • Average mass159.118 Da
  • Monoisotopic mass159.044403 Da
  • ChemSpider ID61443238

More details:

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

4H-1,2,4-Triazole-3-acetic acid, α-fluoro-4-methyl- [ACD/Index Name]
Acide fluoro(4-méthyl-4H-1,2,4-triazol-3-yl)acétique [French] [ACD/IUPAC Name]
Fluor(4-methyl-4H-1,2,4-triazol-3-yl)essigsäure [German] [ACD/IUPAC Name]
Fluoro(4-methyl-4H-1,2,4-triazol-3-yl)acetic acid [ACD/IUPAC Name]
1851475-44-9 [RN]
2-fluoro-2-(4-methyl-4H-1,2,4-triazol-3-yl)acetic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 374.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 180.4±30.7 °C
Index of Refraction: 1.597
Molar Refractivity: 34.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.26
ACD/LogD (pH 5.5): -3.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.91
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: 50.8±7.0 dyne/cm
Molar Volume: 101.2±7.0 cm3

Click to predict properties on the Chemicalize site


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