ChemSpider 2D Image | 1-Ethyl 5-isopropyl 4-methyl-6-(2-nitrophenyl)-2-(trifluoromethyl)-1,5(6H)-pyrimidinedicarboxylate | C19H20F3N3O6

1-Ethyl 5-isopropyl 4-methyl-6-(2-nitrophenyl)-2-(trifluoromethyl)-1,5(6H)-pyrimidinedicarboxylate

  • Molecular FormulaC19H20F3N3O6
  • Average mass443.374 Da
  • Monoisotopic mass443.130432 Da
  • ChemSpider ID23169712

More details:

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

1,5(6H)-Pyrimidinedicarboxylic acid, 4-methyl-6-(2-nitrophenyl)-2-(trifluoromethyl)-, 1-ethyl 5-(1-methylethyl) ester [ACD/Index Name]
1-Ethyl 5-isopropyl 4-methyl-6-(2-nitrophenyl)-2-(trifluoromethyl)-1,5(6H)-pyrimidinedicarboxylate [ACD/IUPAC Name]
1-ethyl 5-propan-2-yl 4-methyl-6-(2-nitrophenyl)-2-(trifluoromethyl)pyrimidine-1,5(6H)-dicarboxylate
1-Ethyl-5-isopropyl-4-methyl-6-(2-nitrophenyl)-2-(trifluormethyl)-1,5(6H)-pyrimidindicarboxylat [German] [ACD/IUPAC Name]
4-Méthyl-6-(2-nitrophényl)-2-(trifluorométhyl)-1,5(6H)-pyrimidinedicarboxylate de 1-éthyle et de 5-isopropyle [French] [ACD/IUPAC Name]
4-Methyl-6-(2-nitro-phenyl)-2-trifluoromethyl-6H-pyrimidine-1,5-dicarboxylic acid 1-ethyl ester 5-isopropyl ester

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

Density: 1.4±0.1 g/cm3
Boiling Point: 456.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 229.7±31.5 °C
Index of Refraction: 1.547
Molar Refractivity: 101.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 442.95
ACD/KOC (pH 5.5): 2728.13
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 442.95
ACD/KOC (pH 7.4): 2728.13
Polar Surface Area: 114 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 41.5±7.0 dyne/cm
Molar Volume: 320.2±7.0 cm3

Click to predict properties on the Chemicalize site


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