ChemSpider 2D Image | MFCD07799809 | C17H17ClFNO4

MFCD07799809

  • Molecular FormulaC17H17ClFNO4
  • Average mass353.773 Da
  • Monoisotopic mass353.083008 Da
  • ChemSpider ID21491526

More details:

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

3,5-Pyridinedicarboxylic acid, 4-(2-chloro-4-fluorophenyl)-1,4-dihydro-2,6-dimethyl-, dimethyl ester [ACD/Index Name]
4-(2-Chloro-4-fluorophényl)-2,6-diméthyl-1,4-dihydro-3,5-pyridinedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
853333-88-7 [RN]
Dimethyl 4-(2-chloro-4-fluorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Dimethyl-4-(2-chlor-4-fluorphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
MFCD07799809
Dimethyl 4-(2-chloro-4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
DIMETHYL-4-(2-CHLORO-4-FLUOROPHENYL)-2,6-DIMETHYL-1,4-DIHYDRO-3,5-PYRIDINEDICARBOXYLATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 431.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.7±3.0 kJ/mol
Flash Point: 214.6±28.7 °C
Index of Refraction: 1.536
Molar Refractivity: 86.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 664.53
ACD/KOC (pH 5.5): 3645.95
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 665.32
ACD/KOC (pH 7.4): 3650.25
Polar Surface Area: 65 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 276.6±3.0 cm3

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