ChemSpider 2D Image | MFCD28137842 | C16H13D9ClN3O

MFCD28137842

  • Molecular FormulaC16H13D9ClN3O
  • Average mass316.874 Da
  • Monoisotopic mass316.201630 Da
  • ChemSpider ID48062655

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(4-Chlorophenyl)-4,4-bis[(2H3)methyl]-3-(1H-1,2,4-triazol-1-ylmethyl)-3-(5,5,5-2H3)pentanol [ACD/IUPAC Name]
1-(4-Chlorophényl)-4,4-bis[(2H3)méthyl]-3-(1H-1,2,4-triazol-1-ylméthyl)-3-(5,5,5-2H3)pentanol [French] [ACD/IUPAC Name]
1-(4-Chlorphenyl)-4,4-bis[(2H3)methyl]-3-(1H-1,2,4-triazol-1-ylmethyl)-3-(5,5,5-2H3)pentanol [German] [ACD/IUPAC Name]
1246818-83-6 [RN]
1H-1,2,4-Triazole-1-ethanol, α-[2-(4-chlorophenyl)ethyl]-α-[1,1-di(methyl-d3)ethyl-2,2,2-d3]- [ACD/Index Name]
MFCD28137842
Tebuconazole-(tert-butyl-d9)
Tebuconazole-d9
5-(4-chlorophenyl)-1,1,1-trideuterio-3-(1,2,4-triazol-1-ylmethyl)-2,2-bis(trideuteriomethyl)pentan-3-ol
Tebuconazole-d9(0.5mg/mLinAcetonitrile)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 476.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 242.2±31.5 °C
Index of Refraction: 1.564
Molar Refractivity: 87.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 404.96
ACD/KOC (pH 5.5): 2550.23
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 409.54
ACD/KOC (pH 7.4): 2579.11
Polar Surface Area: 51 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 40.9±7.0 dyne/cm
Molar Volume: 268.1±7.0 cm3

Click to predict properties on the Chemicalize site


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