ChemSpider 2D Image | Ethyl 1-[3-(methoxycarbonyl)-1H-1,2,4-triazol-5-yl]-1H-1,2,3-triazole-4-carboxylate | C9H10N6O4

Ethyl 1-[3-(methoxycarbonyl)-1H-1,2,4-triazol-5-yl]-1H-1,2,3-triazole-4-carboxylate

  • Molecular FormulaC9H10N6O4
  • Average mass266.214 Da
  • Monoisotopic mass266.076355 Da
  • ChemSpider ID23270192

More details:

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

1-[3-(Méthoxycarbonyl)-1H-1,2,4-triazol-5-yl]-1H-1,2,3-triazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-[5-(methoxycarbonyl)-1H-1,2,4-triazol-3-yl]-, ethyl ester [ACD/Index Name]
Ethyl 1-[3-(methoxycarbonyl)-1H-1,2,4-triazol-5-yl]-1H-1,2,3-triazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-1-[3-(methoxycarbonyl)-1H-1,2,4-triazol-5-yl]-1H-1,2,3-triazol-4-carboxylat [German] [ACD/IUPAC Name]
methyl 5-(4-(ethoxycarbonyl)-1H-1,2,3-triazol-1-yl)-2H-1,2,4-triazole-3-carboxylate

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

Density: 1.7±0.1 g/cm3
Boiling Point: 501.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 257.1±27.9 °C
Index of Refraction: 1.702
Molar Refractivity: 62.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.31
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.09
ACD/LogD (pH 7.4): -1.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 67.0±7.0 dyne/cm
Molar Volume: 160.7±7.0 cm3

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