ChemSpider 2D Image | 3-[(3-Fluoro-4-methoxybenzyl)amino]-6-(trifluoromethyl)-2-quinoxalinecarboxylic acid | C18H13F4N3O3

3-[(3-Fluoro-4-methoxybenzyl)amino]-6-(trifluoromethyl)-2-quinoxalinecarboxylic acid

  • Molecular FormulaC18H13F4N3O3
  • Average mass395.308 Da
  • Monoisotopic mass395.089294 Da
  • ChemSpider ID35034287

More details:

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

2-Quinoxalinecarboxylic acid, 3-[[(3-fluoro-4-methoxyphenyl)methyl]amino]-6-(trifluoromethyl)- [ACD/Index Name]
3-[(3-Fluor-4-methoxybenzyl)amino]-6-(trifluormethyl)-2-chinoxalincarbonsäure [German] [ACD/IUPAC Name]
3-[(3-Fluoro-4-methoxybenzyl)amino]-6-(trifluoromethyl)-2-quinoxalinecarboxylic acid [ACD/IUPAC Name]
3-[(3-Fluoro-4-Methoxybenzyl)amino]-6-(Trifluoromethyl)quinoxaline-2-Carboxylic Acid
Acide 3-[(3-fluoro-4-méthoxybenzyl)amino]-6-(trifluorométhyl)-2-quinoxalinecarboxylique [French] [ACD/IUPAC Name]
R57

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

Density: 1.5±0.1 g/cm3
Boiling Point: 511.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 263.2±30.1 °C
Index of Refraction: 1.621
Molar Refractivity: 93.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 28.47
ACD/KOC (pH 5.5): 77.44
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 5.85
ACD/KOC (pH 7.4): 15.91
Polar Surface Area: 84 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 264.4±3.0 cm3

Click to predict properties on the Chemicalize site


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