ChemSpider 2D Image | Propiconazole-d7 | C15H10D7Cl2N3O2

Propiconazole-d7

  • Molecular FormulaC15H10D7Cl2N3O2
  • Average mass349.263 Da
  • Monoisotopic mass348.113708 Da
  • ChemSpider ID48063489

  • Non-standard isotope - Non-standard isotope

More details:

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

1-{[2-(2,4-Dichlorophenyl)-4-(2H7)propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole [ACD/IUPAC Name]
1-{[2-(2,4-Dichlorophényl)-4-(2H7)propyl-1,3-dioxolan-2-yl]méthyl}-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
1-{[2-(2,4-Dichlorphenyl)-4-(2H7)propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
1246818-14-3 [RN]
1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-4-(propyl-d7)-1,3-dioxolan-2-yl]methyl]- [ACD/Index Name]
Propiconazole-d7
1-[[2-(2,4-dichlorophenyl)-4-(1,1,2,2,3,3,3-heptadeuteriopropyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole

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

Density: 1.4±0.1 g/cm3
Boiling Point: 480.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 244.1±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 86.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 276.06
ACD/KOC (pH 5.5): 1941.84
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 277.53
ACD/KOC (pH 7.4): 1952.18
Polar Surface Area: 49 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 244.9±7.0 cm3

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