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Search term: PLYAKPPEYCWTLQ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-(2'-Chloro-4-biphenylyl)-4-cyano-5-ethyl-1-methyl-1H-pyrrole-2-carboxylic acid | C21H17ClN2O2

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

  • Molecular FormulaC21H17ClN2O2
  • Average mass364.825 Da
  • Monoisotopic mass364.097870 Da
  • ChemSpider ID23276574

More details:

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

1H-Pyrrole-2-carboxylic acid, 3-(2'-chloro[1,1'-biphenyl]-4-yl)-4-cyano-5-ethyl-1-methyl- [ACD/Index Name]
3-(2'-Chlor-4-biphenylyl)-4-cyan-5-ethyl-1-methyl-1H-pyrrol-2-carbonsäure [German] [ACD/IUPAC Name]
3-(2'-Chloro-4-biphenylyl)-4-cyano-5-ethyl-1-methyl-1H-pyrrole-2-carboxylic acid [ACD/IUPAC Name]
3-(2'-chlorobiphenyl-4-yl)-4-cyano-5-ethyl-1-methyl-1H-pyrrole-2-carboxylic acid
Acide 3-(2'-chloro-4-biphénylyl)-4-cyano-5-éthyl-1-méthyl-1H-pyrrole-2-carboxylique [French] [ACD/IUPAC Name]
3-(2'-chloro-biphenyl-4-yl)-4-cyano-5-ethyl-1-methyl-1H-pyrrole-2-carboxylic acid
CHEMBL384402
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL384402/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 550.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 286.8±30.1 °C
Index of Refraction: 1.620
Molar Refractivity: 103.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 69.88
ACD/KOC (pH 5.5): 226.73
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 3.85
ACD/KOC (pH 7.4): 12.48
Polar Surface Area: 66 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 294.7±7.0 cm3

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