ChemSpider 2D Image | 2-[2-(2,4-Dichlorophenoxy)propanoyl]-4-methyl-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one | C13H10Cl2F3N3O3

2-[2-(2,4-Dichlorophenoxy)propanoyl]-4-methyl-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

  • Molecular FormulaC13H10Cl2F3N3O3
  • Average mass384.138 Da
  • Monoisotopic mass383.005127 Da
  • ChemSpider ID78343387

More details:

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

2-[2-(2,4-Dichlorophenoxy)propanoyl]-4-methyl-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
2-[2-(2,4-Dichlorophénoxy)propanoyl]-4-méthyl-5-(trifluorométhyl)-2,4-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]
2-[2-(2,4-Dichlorphenoxy)propanoyl]-4-methyl-5-(trifluormethyl)-2,4-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
3H-1,2,4-Triazol-3-one, 2-[2-(2,4-dichlorophenoxy)-1-oxopropyl]-2,4-dihydro-4-methyl-5-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 386.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.6±3.0 kJ/mol
Flash Point: 187.7±30.7 °C
Index of Refraction: 1.575
Molar Refractivity: 80.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 75.20
ACD/KOC (pH 5.5): 766.69
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 75.20
ACD/KOC (pH 7.4): 766.69
Polar Surface Area: 62 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 43.2±7.0 dyne/cm
Molar Volume: 243.2±7.0 cm3

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