ChemSpider 2D Image | (1E)-1-(4-Chlorophenyl)-4,4-bis[(~2~H_3_)methyl]-2-(1H-1,2,4-triazol-1-yl)(5,5,5-~2~H_3_)-1-penten-3-ol | C15H9D9ClN3O

(1E)-1-(4-Chlorophenyl)-4,4-bis[(2H3)methyl]-2-(1H-1,2,4-triazol-1-yl)(5,5,5-2H3)-1-penten-3-ol

  • Molecular FormulaC15H9D9ClN3O
  • Average mass300.831 Da
  • Monoisotopic mass300.170319 Da
  • ChemSpider ID128917758

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(1E)-1-(4-Chlorophenyl)-4,4-bis[(2H3)methyl]-2-(1H-1,2,4-triazol-1-yl)(5,5,5-2H3)-1-penten-3-ol [ACD/IUPAC Name]
(1E)-1-(4-Chlorophényl)-4,4-bis[(2H3)méthyl]-2-(1H-1,2,4-triazol-1-yl)(5,5,5-2H3)-1-pentén-3-ol [French] [ACD/IUPAC Name]
(1E)-1-(4-Chlorphenyl)-4,4-bis[(2H3)methyl]-2-(1H-1,2,4-triazol-1-yl)(5,5,5-2H3)-1-penten-3-ol [German] [ACD/IUPAC Name]
1H-1,2,4-Triazole-1-ethanol, β-[(4-chlorophenyl)methylene]-α-[1,1-di(methyl-d3)ethyl-2,2,2-d3]-, (βE)- [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: 474.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 240.8±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 82.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 248.03
ACD/KOC (pH 5.5): 1800.87
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 248.24
ACD/KOC (pH 7.4): 1802.40
Polar Surface Area: 51 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 41.1±7.0 dyne/cm
Molar Volume: 246.7±7.0 cm3

Click to predict properties on the Chemicalize site


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