ChemSpider 2D Image | Fluoro(1-methyl-1H-1,2,3-triazol-5-yl)acetic acid | C5H6FN3O2

Fluoro(1-methyl-1H-1,2,3-triazol-5-yl)acetic acid

  • Molecular FormulaC5H6FN3O2
  • Average mass159.118 Da
  • Monoisotopic mass159.044403 Da
  • ChemSpider ID44019341

More details:

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

1H-1,2,3-Triazole-5-acetic acid, α-fluoro-1-methyl- [ACD/Index Name]
Acide fluoro(1-méthyl-1H-1,2,3-triazol-5-yl)acétique [French] [ACD/IUPAC Name]
Fluor(1-methyl-1H-1,2,3-triazol-5-yl)essigsäure [German] [ACD/IUPAC Name]
Fluoro(1-methyl-1H-1,2,3-triazol-5-yl)acetic acid [ACD/IUPAC Name]
1597668-29-5 [RN]
2-fluoro-2-(1-methyl-1H-1,2,3-triazol-5-yl)acetic acid
MFCD29957881

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

Density: 1.6±0.1 g/cm3
Boiling Point: 343.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.0±3.0 kJ/mol
Flash Point: 161.3±30.1 °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: -0.69
ACD/LogD (pH 5.5): -3.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.11
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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