ChemSpider 2D Image | Myclobutanil-d4 | C15H13D4ClN4

Myclobutanil-d4

  • Molecular FormulaC15H13D4ClN4
  • Average mass292.800 Da
  • Monoisotopic mass292.139282 Da
  • ChemSpider ID49070945

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-1,2,4-Triazole-1-propanenitrile, α-butyl-α-(4-chlorophenyl-2,3,5,6-d4)- [ACD/Index Name]
2-[4-Chlor(2H4)phenyl]-2-(1H-1,2,4-triazol-1-ylmethyl)hexannitril [German] [ACD/IUPAC Name]
2-[4-Chloro(2H4)phenyl]-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile [ACD/IUPAC Name]
2-[4-Chloro(2H4)phényl]-2-(1H-1,2,4-triazol-1-ylméthyl)hexanenitrile [French] [ACD/IUPAC Name]
Myclobutanil-(phenyl-d4)
Myclobutanil-d4
α-Butyl-α-(4-chlorophenyl-d4)-1H-1,2,4-triazole-1-propanenitrile

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

Density: 1.2±0.1 g/cm3
Boiling Point: 465.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 235.2±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 83.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 157.18
ACD/KOC (pH 5.5): 1299.24
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 157.30
ACD/KOC (pH 7.4): 1300.27
Polar Surface Area: 55 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 44.7±7.0 dyne/cm
Molar Volume: 247.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement