ChemSpider 2D Image | [4-({1-(6-Methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl}methoxy)-2-methylphenoxy]acetic acid | C25H21F3N4O6

[4-({1-(6-Methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl}methoxy)-2-methylphenoxy]acetic acid

  • Molecular FormulaC25H21F3N4O6
  • Average mass530.453 Da
  • Monoisotopic mass530.141296 Da
  • ChemSpider ID9679486

More details:

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

[4-({1-(6-Methoxy-3-pyridinyl)-5-[4-(trifluormethoxy)phenyl]-1H-1,2,4-triazol-3-yl}methoxy)-2-methylphenoxy]essigsäure [German] [ACD/IUPAC Name]
[4-({1-(6-Methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl}methoxy)-2-methylphenoxy]acetic acid [ACD/IUPAC Name]
Acetic acid, 2-[4-[[1-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]methoxy]-2-methylphenoxy]- [ACD/Index Name]
Acide [4-({1-(6-méthoxy-3-pyridinyl)-5-[4-(trifluorométhoxy)phényl]-1H-1,2,4-triazol-3-yl}méthoxy)-2-méthylphénoxy]acétique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 687.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 369.8±34.3 °C
Index of Refraction: 1.591
Molar Refractivity: 127.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 2.31
ACD/KOC (pH 5.5): 14.47
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 378.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement