ChemSpider 2D Image | Ethyl 1-[(1R)-1-(4-fluorophenyl)ethyl]-1H-imidazole-5-carboxylate | C14H15FN2O2

Ethyl 1-[(1R)-1-(4-fluorophenyl)ethyl]-1H-imidazole-5-carboxylate

  • Molecular FormulaC14H15FN2O2
  • Average mass262.280 Da
  • Monoisotopic mass262.111755 Da
  • ChemSpider ID34989702

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(1R)-1-(4-Fluorophényl)éthyl]-1H-imidazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
112421-36-0 [RN]
1H-Imidazole-5-carboxylic acid, 1-[(1R)-1-(4-fluorophenyl)ethyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-[(1R)-1-(4-fluorophenyl)ethyl]-1H-imidazole-5-carboxylate [ACD/IUPAC Name]
Ethyl-1-[(1R)-1-(4-fluorphenyl)ethyl]-1H-imidazol-5-carboxylat [German] [ACD/IUPAC Name]
284-774-7 [EINECS]
84962-75-4 [RN]
Flutomidate [INN]
UNII-CX3RPB4DVF

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

8N2P6K7X3J [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 392.3±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.2±3.0 kJ/mol
Flash Point: 191.0±22.3 °C
Index of Refraction: 1.552
Molar Refractivity: 70.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.51
ACD/KOC (pH 5.5): 569.25
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 52.80
ACD/KOC (pH 7.4): 595.11
Polar Surface Area: 44 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 37.8±7.0 dyne/cm
Molar Volume: 221.4±7.0 cm3

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