ChemSpider 2D Image | 1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanol | C15H20ClN3O

1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanol

  • Molecular FormulaC15H20ClN3O
  • Average mass293.792 Da
  • Monoisotopic mass293.129486 Da
  • ChemSpider ID34978194

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanol [ACD/IUPAC Name]
1-(4-Chlorophényl)-4,4-diméthyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanol [French] [ACD/IUPAC Name]
1-(4-Chlorphenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanol [German] [ACD/IUPAC Name]
1H-1,2,4-Triazole-1-ethanol, β-[(4-chlorophenyl)methyl]-α-(1,1-dimethylethyl)- [ACD/Index Name]
1-tert-Butyl-2-(p-chlorobenzyl)-2-(1,2,4-triazol-1-yl)ethanol
76738-62-0 [RN]
PACLOBUTRAZOL [Wiki]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 460.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 232.6±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: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 213.26
ACD/KOC (pH 5.5): 1615.77
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 213.72
ACD/KOC (pH 7.4): 1619.21
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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