ChemSpider 2D Image | Ethyl 1-[(6-chloro-3-pyridinyl)methyl]-5-[(E)-(ethoxymethylene)amino]-1H-1,2,3-triazole-4-carboxylate | C14H16ClN5O3

Ethyl 1-[(6-chloro-3-pyridinyl)methyl]-5-[(E)-(ethoxymethylene)amino]-1H-1,2,3-triazole-4-carboxylate

  • Molecular FormulaC14H16ClN5O3
  • Average mass337.762 Da
  • Monoisotopic mass337.094177 Da
  • ChemSpider ID24741162

  • Double-bond stereo - Double-bond stereo

More details:

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

1-[(6-Chloro-3-pyridinyl)méthyl]-5-[(E)-(éthoxyméthylène)amino]-1H-1,2,3-triazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-[(6-chloro-3-pyridinyl)methyl]-5-[[(1E)-ethoxymethylene]amino]-, ethyl ester [ACD/Index Name]
Ethyl 1-[(6-chloro-3-pyridinyl)methyl]-5-[(E)-(ethoxymethylene)amino]-1H-1,2,3-triazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-1-[(6-chlor-3-pyridinyl)methyl]-5-[(E)-(ethoxymethylen)amino]-1H-1,2,3-triazol-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 533.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 276.6±32.9 °C
Index of Refraction: 1.609
Molar Refractivity: 86.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 25.78
ACD/KOC (pH 5.5): 356.28
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 25.78
ACD/KOC (pH 7.4): 356.29
Polar Surface Area: 91 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 248.5±7.0 cm3

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