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Search term: ONOQSBGHIPAOLO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-Cyano-5-ethyl-3-(2'-fluoro-4-biphenylyl)-1-methyl-1H-pyrrole-2-carboxylic acid | C21H17FN2O2

4-Cyano-5-ethyl-3-(2'-fluoro-4-biphenylyl)-1-methyl-1H-pyrrole-2-carboxylic acid

  • Molecular FormulaC21H17FN2O2
  • Average mass348.370 Da
  • Monoisotopic mass348.127411 Da
  • ChemSpider ID23276527

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-cyano-5-ethyl-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-1-methyl- [ACD/Index Name]
4-Cyan-5-ethyl-3-(2'-fluor-4-biphenylyl)-1-methyl-1H-pyrrol-2-carbonsäure [German] [ACD/IUPAC Name]
4-Cyano-5-ethyl-3-(2'-fluoro-4-biphenylyl)-1-methyl-1H-pyrrole-2-carboxylic acid [ACD/IUPAC Name]
4-cyano-5-ethyl-3-(2'-fluorobiphenyl-4-yl)-1-methyl-1H-pyrrole-2-carboxylic acid
Acide 4-cyano-5-éthyl-3-(2'-fluoro-4-biphénylyl)-1-méthyl-1H-pyrrole-2-carboxylique [French] [ACD/IUPAC Name]
4-cyano-5-ethyl-3-(2'-fluoro-[1,1'-biphenyl]-4-yl)-1-methyl-1H-pyrrole-2-carboxylic acid
4-cyano-5-ethyl-3-(2'-fluoro-biphenyl-4-yl)-1-methyl-1H-pyrrole-2-carboxylic acid
851196-32-2 [RN]
CHEMBL215575
LY2364596
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 536.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 278.1±30.1 °C
Index of Refraction: 1.601
Molar Refractivity: 98.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 29.03
ACD/KOC (pH 5.5): 119.24
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 1.66
ACD/KOC (pH 7.4): 6.81
Polar Surface Area: 66 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 43.1±7.0 dyne/cm
Molar Volume: 288.3±7.0 cm3

Click to predict properties on the Chemicalize site


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