ChemSpider 2D Image | Diethyl 1-[2-(4-bromophenyl)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate | C16H16BrN3O5

Diethyl 1-[2-(4-bromophenyl)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate

  • Molecular FormulaC16H16BrN3O5
  • Average mass410.219 Da
  • Monoisotopic mass409.027313 Da
  • ChemSpider ID28479600

More details:

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

1-[2-(4-Bromophényl)-2-oxoéthyl]-1H-1,2,3-triazole-4,5-dicarboxylate de diéthyle [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4,5-dicarboxylic acid, 1-[2-(4-bromophenyl)-2-oxoethyl]-, diethyl ester [ACD/Index Name]
Diethyl 1-[2-(4-bromophenyl)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate [ACD/IUPAC Name]
Diethyl-1-[2-(4-bromphenyl)-2-oxoethyl]-1H-1,2,3-triazol-4,5-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 528.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 273.3±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 93.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 53.92
ACD/KOC (pH 5.5): 604.22
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 53.92
ACD/KOC (pH 7.4): 604.22
Polar Surface Area: 100 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 269.0±7.0 cm3

Click to predict properties on the Chemicalize site


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