ChemSpider 2D Image | 3-[(4-Cyanobenzyl)amino]-6-(trifluoromethyl)-2-quinoxalinecarboxylic acid | C18H11F3N4O2

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

  • Molecular FormulaC18H11F3N4O2
  • Average mass372.301 Da
  • Monoisotopic mass372.083405 Da
  • ChemSpider ID35034277

More details:






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

2-Quinoxalinecarboxylic acid, 3-[[(4-cyanophenyl)methyl]amino]-6-(trifluoromethyl)- [ACD/Index Name]
3-[(4-Cyanbenzyl)amino]-6-(trifluormethyl)-2-chinoxalincarbonsäure [German] [ACD/IUPAC Name]
3-[(4-Cyanobenzyl)amino]-6-(trifluoromethyl)-2-quinoxalinecarboxylic acid [ACD/IUPAC Name]
3-[(4-Cyanobenzyl)amino]-6-(Trifluoromethyl)quinoxaline-2-Carboxylic Acid
Acide 3-[(4-cyanobenzyl)amino]-6-(trifluorométhyl)-2-quinoxalinecarboxylique [French] [ACD/IUPAC Name]
R26

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 541.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 281.5±30.1 °C
Index of Refraction: 1.645
Molar Refractivity: 88.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 17.26
ACD/KOC (pH 5.5): 53.94
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 3.59
ACD/KOC (pH 7.4): 11.21
Polar Surface Area: 99 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 71.6±5.0 dyne/cm
Molar Volume: 244.7±5.0 cm3

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