ChemSpider 2D Image | 1-(Trifluoromethyl)-1H-imidazole-5-carboxylic acid | C5H3F3N2O2

1-(Trifluoromethyl)-1H-imidazole-5-carboxylic acid

  • Molecular FormulaC5H3F3N2O2
  • Average mass180.085 Da
  • Monoisotopic mass180.014664 Da
  • ChemSpider ID45891576

More details:

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

1-(Trifluormethyl)-1H-imidazol-5-carbonsäure [German] [ACD/IUPAC Name]
1-(Trifluoromethyl)-1H-imidazole-5-carboxylic acid [ACD/IUPAC Name]
1H-Imidazole-5-carboxylic acid, 1-(trifluoromethyl)- [ACD/Index Name]
Acide 1-(trifluorométhyl)-1H-imidazole-5-carboxylique [French] [ACD/IUPAC Name]
1547005-85-5 [RN]
MFCD32198039

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

Density: 1.7±0.1 g/cm3
Boiling Point: 293.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 56.3±3.0 kJ/mol
Flash Point: 131.1±27.3 °C
Index of Refraction: 1.499
Molar Refractivity: 31.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.48
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 55 Å2
Polarizability: 12.6±0.5 10-24cm3
Surface Tension: 40.0±7.0 dyne/cm
Molar Volume: 108.6±7.0 cm3

Click to predict properties on the Chemicalize site


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