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ChemSpider 2D Image | 4-Cyano-3-(4'-cyano-4-biphenylyl)-5-ethyl-1-methyl-1H-pyrrole-2-carboxylic acid | C22H17N3O2

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

  • Molecular FormulaC22H17N3O2
  • Average mass355.389 Da
  • Monoisotopic mass355.132080 Da
  • ChemSpider ID23276338

More details:






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

1H-Pyrrole-2-carboxylic acid, 4-cyano-3-(4'-cyano[1,1'-biphenyl]-4-yl)-5-ethyl-1-methyl- [ACD/Index Name]
4-Cyan-3-(4'-cyan-4-biphenylyl)-5-ethyl-1-methyl-1H-pyrrol-2-carbonsäure [German] [ACD/IUPAC Name]
4-Cyano-3-(4'-cyano-4-biphenylyl)-5-ethyl-1-methyl-1H-pyrrole-2-carboxylic acid [ACD/IUPAC Name]
4-cyano-3-(4'-cyanobiphenyl-4-yl)-5-ethyl-1-methyl-1H-pyrrole-2-carboxylic acid
Acide 4-cyano-3-(4'-cyano-4-biphénylyl)-5-éthyl-1-méthyl-1H-pyrrole-2-carboxylique [French] [ACD/IUPAC Name]
4-cyano-3-(4'-cyano-biphenyl-4-yl)-5-ethyl-1-methyl-1H-pyrrole-2-carboxylic acid
CHEMBL384953

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 596.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 314.7±30.1 °C
Index of Refraction: 1.625
Molar Refractivity: 105.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 25.02
ACD/KOC (pH 5.5): 112.39
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 1.26
ACD/KOC (pH 7.4): 5.66
Polar Surface Area: 90 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 298.3±7.0 cm3

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