ChemSpider 2D Image | 2-Chloro-N-(4-methoxy-2-nitrophenyl)-6-[3-(trifluoromethoxy)phenyl]-4-pyrimidinamine | C18H12ClF3N4O4

2-Chloro-N-(4-methoxy-2-nitrophenyl)-6-[3-(trifluoromethoxy)phenyl]-4-pyrimidinamine

  • Molecular FormulaC18H12ClF3N4O4
  • Average mass440.760 Da
  • Monoisotopic mass440.049927 Da
  • ChemSpider ID29305716

More details:

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

2-Chlor-N-(4-methoxy-2-nitrophenyl)-6-[3-(trifluormethoxy)phenyl]-4-pyrimidinamin [German] [ACD/IUPAC Name]
2-Chloro-N-(4-methoxy-2-nitrophenyl)-6-[3-(trifluoromethoxy)phenyl]-4-pyrimidinamine [ACD/IUPAC Name]
2-Chloro-N-(4-méthoxy-2-nitrophényl)-6-[3-(trifluorométhoxy)phényl]-4-pyrimidinamine [French] [ACD/IUPAC Name]
4-Pyrimidinamine, 2-chloro-N-(4-methoxy-2-nitrophenyl)-6-[3-(trifluoromethoxy)phenyl]- [ACD/Index Name]
2-chloro-N-(4-methoxy-2-nitrophenyl)-6-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 567.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 297.2±30.1 °C
Index of Refraction: 1.604
Molar Refractivity: 101.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.00
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 5039.00
ACD/KOC (pH 5.5): 15549.71
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 5039.31
ACD/KOC (pH 7.4): 15550.67
Polar Surface Area: 102 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 295.4±3.0 cm3

Click to predict properties on the Chemicalize site


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