ChemSpider 2D Image | 1-[(5-Chloro-1-methyl-1H-imidazol-2-yl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid | C9H10ClN5O2

1-[(5-Chloro-1-methyl-1H-imidazol-2-yl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC9H10ClN5O2
  • Average mass255.661 Da
  • Monoisotopic mass255.052307 Da
  • ChemSpider ID34147806

More details:

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

1-[(5-Chlor-1-methyl-1H-imidazol-2-yl)methyl]-5-methyl-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-[(5-Chloro-1-methyl-1H-imidazol-2-yl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-[(5-chloro-1-methyl-1H-imidazol-2-yl)methyl]-5-methyl- [ACD/Index Name]
Acide 1-[(5-chloro-1-méthyl-1H-imidazol-2-yl)méthyl]-5-méthyl-1H-1,2,3-triazole-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 553.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 288.4±32.9 °C
Index of Refraction: 1.711
Molar Refractivity: 61.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.05
ACD/LogD (pH 5.5): -1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 86 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 62.3±7.0 dyne/cm
Molar Volume: 158.4±7.0 cm3

Click to predict properties on the Chemicalize site


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