ChemSpider 2D Image | 2-{3-[(3-Methylphenoxy)methyl]-5-phenyl-4H-1,2,4-triazol-4-yl}benzoic acid | C23H19N3O3

2-{3-[(3-Methylphenoxy)methyl]-5-phenyl-4H-1,2,4-triazol-4-yl}benzoic acid

  • Molecular FormulaC23H19N3O3
  • Average mass385.415 Da
  • Monoisotopic mass385.142639 Da
  • ChemSpider ID21128588

More details:

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

2-{3-[(3-Methylphenoxy)methyl]-5-phenyl-4H-1,2,4-triazol-4-yl}benzoesäure [German] [ACD/IUPAC Name]
2-{3-[(3-Methylphenoxy)methyl]-5-phenyl-4H-1,2,4-triazol-4-yl}benzoic acid [ACD/IUPAC Name]
Acide 2-{3-[(3-méthylphénoxy)méthyl]-5-phényl-4H-1,2,4-triazol-4-yl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[3-[(3-methylphenoxy)methyl]-5-phenyl-4H-1,2,4-triazol-4-yl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 648.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 345.7±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 111.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 44.53
ACD/KOC (pH 5.5): 138.43
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 4.00
ACD/KOC (pH 7.4): 12.43
Polar Surface Area: 77 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 309.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement