ChemSpider 2D Image | 1-{[(2S,3R)-3-[2-Chloro(~2~H_4_)phenyl]-2-(4-fluorophenyl)-2-oxiranyl]methyl}-1H-1,2,4-triazole | C17H9D4ClFN3O

1-{[(2S,3R)-3-[2-Chloro(2H4)phenyl]-2-(4-fluorophenyl)-2-oxiranyl]methyl}-1H-1,2,4-triazole

  • Molecular FormulaC17H9D4ClFN3O
  • Average mass333.781 Da
  • Monoisotopic mass333.098236 Da
  • ChemSpider ID71117212

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1-{[(2S,3R)-3-[2-Chlor(2H4)phenyl]-2-(4-fluorphenyl)-2-oxiranyl]methyl}-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
1-{[(2S,3R)-3-[2-Chloro(2H4)phenyl]-2-(4-fluorophenyl)-2-oxiranyl]methyl}-1H-1,2,4-triazole [ACD/IUPAC Name]
1-{[(2S,3R)-3-[2-Chloro(2H4)phényl]-2-(4-fluorophényl)-2-oxiranyl]méthyl}-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole, 1-[[(2S,3R)-3-(6-chlorophenyl-2,3,4,5-d4)-2-(4-fluorophenyl)oxiranyl]methyl]- [ACD/Index Name]
(±)-cis-Epoxiconazole-d4

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

Density: 1.4±0.1 g/cm3
Boiling Point: 463.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 233.9±31.5 °C
Index of Refraction: 1.659
Molar Refractivity: 87.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 396.49
ACD/KOC (pH 5.5): 2517.89
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 397.69
ACD/KOC (pH 7.4): 2525.55
Polar Surface Area: 43 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 236.5±7.0 cm3

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