ChemSpider 2D Image | Methyl 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-(hydroxymethyl)-1H-1,2,3-triazole-4-carboxylate | C13H14ClN3O4

Methyl 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-(hydroxymethyl)-1H-1,2,3-triazole-4-carboxylate

  • Molecular FormulaC13H14ClN3O4
  • Average mass311.721 Da
  • Monoisotopic mass311.067291 Da
  • ChemSpider ID27319944

More details:

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

1-[2-(4-Chlorophényl)-2-hydroxyéthyl]-5-(hydroxyméthyl)-1H-1,2,3-triazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-(hydroxymethyl)-, methyl ester [ACD/Index Name]
Methyl 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-(hydroxymethyl)-1H-1,2,3-triazole-4-carboxylate [ACD/IUPAC Name]
Methyl-1-[2-(4-chlorphenyl)-2-hydroxyethyl]-5-(hydroxymethyl)-1H-1,2,3-triazol-4-carboxylat [German] [ACD/IUPAC Name]
[1351772-52-5] [RN]
1-[2-(4-Chloro-phenyl)-2-hydroxy-ethyl]-5-hydroxymethyl-1H-[1,2,3]triazole-4-carboxylic acid methyl ester
1351772-52-5 [RN]
BS-5639
MFCD20754831

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

Density: 1.5±0.1 g/cm3
Boiling Point: 550.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 286.9±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 75.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.21
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.16
ACD/KOC (pH 5.5): 38.73
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.16
ACD/KOC (pH 7.4): 38.73
Polar Surface Area: 97 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 211.9±7.0 cm3

Click to predict properties on the Chemicalize site


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