ChemSpider 2D Image | (2Z)-2-(1H-1,2,4-Triazol-1-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]acrylonitrile | C21H18N6O3

(2Z)-2-(1H-1,2,4-Triazol-1-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]acrylonitrile

  • Molecular FormulaC21H18N6O3
  • Average mass402.406 Da
  • Monoisotopic mass402.144043 Da
  • ChemSpider ID35034765

More details:

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

(2Z)-2-(1H-1,2,4-Triazol-1-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]acrylonitril [German] [ACD/IUPAC Name]
(2Z)-2-(1H-1,2,4-Triazol-1-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]acrylonitrile [ACD/IUPAC Name]
(2Z)-2-(1H-1,2,4-Triazol-1-yl)-3-[3-(3,4,5-triméthoxyphényl)-1H-indazol-5-yl]acrylonitrile [French] [ACD/IUPAC Name]
(2z)-2-(1h-1,2,4-Triazol-1-Yl)-3-[3-(3,4,5-Trimethoxyphenyl)-1h-Indazol-5-Yl]prop-2-Enenitrile
1H-1,2,4-Triazole-1-acetonitrile, α-[[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]methylene]-, (αZ)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 662.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 354.4±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 110.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.25
ACD/KOC (pH 5.5): 481.38
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.25
ACD/KOC (pH 7.4): 481.37
Polar Surface Area: 111 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 299.7±7.0 cm3

Click to predict properties on the Chemicalize site


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