ChemSpider 2D Image | (2E)-1-(1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-3-(4-fluorophenyl)-2-propen-1-one | C19H16FN3O

(2E)-1-(1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-3-(4-fluorophenyl)-2-propen-1-one

  • Molecular FormulaC19H16FN3O
  • Average mass321.348 Da
  • Monoisotopic mass321.127747 Da
  • ChemSpider ID30657068

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-(1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-3-(4-fluorophenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-(1-Benzyl-5-méthyl-1H-1,2,3-triazol-4-yl)-3-(4-fluorophényl)-2-propén-1-one [French] [ACD/IUPAC Name]
(2E)-1-(1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-3-(4-fluorphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
2-Propen-1-one, 3-(4-fluorophenyl)-1-[5-methyl-1-(phenylmethyl)-1H-1,2,3-triazol-4-yl]-, (2E)- [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: 523.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 270.7±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 93.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 176.91
ACD/KOC (pH 5.5): 1414.33
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 176.91
ACD/KOC (pH 7.4): 1414.33
Polar Surface Area: 48 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 272.4±7.0 cm3

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