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Search term: BIFLCTAYAWDBGO-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-Cyano-5-ethyl-3-(2'-methoxy-4-biphenylyl)-1-methyl-1H-pyrrole-2-carboxylic acid | C22H20N2O3

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

  • Molecular FormulaC22H20N2O3
  • Average mass360.406 Da
  • Monoisotopic mass360.147400 Da
  • ChemSpider ID23276294

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-cyano-5-ethyl-3-(2'-methoxy[1,1'-biphenyl]-4-yl)-1-methyl- [ACD/Index Name]
4-Cyan-5-ethyl-3-(2'-methoxy-4-biphenylyl)-1-methyl-1H-pyrrol-2-carbonsäure [German] [ACD/IUPAC Name]
4-Cyano-5-ethyl-3-(2'-methoxy-4-biphenylyl)-1-methyl-1H-pyrrole-2-carboxylic acid [ACD/IUPAC Name]
4-cyano-5-ethyl-3-(2'-methoxybiphenyl-4-yl)-1-methyl-1H-pyrrole-2-carboxylic acid
Acide 4-cyano-5-éthyl-3-(2'-méthoxy-4-biphénylyl)-1-méthyl-1H-pyrrole-2-carboxylique [French] [ACD/IUPAC Name]
4-cyano-5-ethyl-3-(2'-methoxy-biphenyl-4-yl)-1-methyl-1H-pyrrole-2-carboxylic acid
CHEMBL215013

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

Density: 1.2±0.1 g/cm3
Boiling Point: 540.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 280.9±30.1 °C
Index of Refraction: 1.597
Molar Refractivity: 104.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 24.56
ACD/KOC (pH 5.5): 118.55
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 1.05
ACD/KOC (pH 7.4): 5.05
Polar Surface Area: 75 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 307.1±7.0 cm3

Click to predict properties on the Chemicalize site


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