ChemSpider 2D Image | 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoic acid | C12H9F3N2O2

3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoic acid

  • Molecular FormulaC12H9F3N2O2
  • Average mass270.207 Da
  • Monoisotopic mass270.061615 Da
  • ChemSpider ID24599277

More details:






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

3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluormethyl)benzoesäure [German] [ACD/IUPAC Name]
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoic acid [ACD/IUPAC Name]
Acide 3-(4-méthyl-1H-imidazol-1-yl)-5-(trifluorométhyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)- [ACD/Index Name]
T5N CNJ AR CVQ EXFFF& D1 [WLN]
[641571-13-3]
3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoicacid
3-(4-Methylimidazol-1-yl)-5-(trifluoromethyl)benzoic acid
3-(4-Methylimidazol-1-yl)-5-trifluoromethylbenzoic acid
641571-13-1 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 423.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 209.9±28.7 °C
Index of Refraction: 1.552
Molar Refractivity: 61.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.97
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 55 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 39.4±7.0 dyne/cm
Molar Volume: 192.1±7.0 cm3

Click to predict properties on the Chemicalize site






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