ChemSpider 2D Image | 2-(3-Chlorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid | C11H9ClN2O2

2-(3-Chlorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid

  • Molecular FormulaC11H9ClN2O2
  • Average mass236.654 Da
  • Monoisotopic mass236.035248 Da
  • ChemSpider ID25056681

More details:

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

1226001-92-8 [RN]
1H-Imidazole-4-carboxylic acid, 2-(3-chlorophenyl)-5-methyl- [ACD/Index Name]
2-(3-Chlorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid [ACD/IUPAC Name]
2-(3-Chloro-Phenyl)-5-Methyl-1h-Imidazole-4-Carboxylic Acid
2-(3-Chlorphenyl)-5-methyl-1H-imidazol-4-carbonsäure [German] [ACD/IUPAC Name]
Acide 2-(3-chlorophényl)-5-méthyl-1H-imidazole-4-carboxylique [French] [ACD/IUPAC Name]
2-(3-CHLOROPHENYL)-4-METHYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID
2-(3-CHLOROPHENYL)-5-METHYL-3H-IMIDAZOLE-4-CARBOXYLIC ACID
4G2
MFCD11847197
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 522.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 269.9±27.3 °C
Index of Refraction: 1.638
Molar Refractivity: 60.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.90
ACD/LogD (pH 7.4): 0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.71
Polar Surface Area: 66 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 62.7±3.0 dyne/cm
Molar Volume: 167.0±3.0 cm3

Click to predict properties on the Chemicalize site


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