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Search term: DLKAUSIPGLKJRN-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-(2,5-Dichlorophenyl)-6-(2-hydroxy-5-isobutylphenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile | C22H18Cl2N2O2

4-(2,5-Dichlorophenyl)-6-(2-hydroxy-5-isobutylphenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile

  • Molecular FormulaC22H18Cl2N2O2
  • Average mass413.297 Da
  • Monoisotopic mass412.074524 Da
  • ChemSpider ID23293686

More details:

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

3-Pyridinecarbonitrile, 4-(2,5-dichlorophenyl)-1,2-dihydro-6-[2-hydroxy-5-(2-methylpropyl)phenyl]-2-oxo- [ACD/Index Name]
4-(2,5-Dichlorophenyl)-6-(2-hydroxy-5-isobutylphenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile [ACD/IUPAC Name]
4-(2,5-Dichlorophényl)-6-(2-hydroxy-5-isobutylphényl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile [French] [ACD/IUPAC Name]
4-(2,5-dichlorophenyl)-6-[2-hydroxy-5-(2-methylpropyl)phenyl]-2-oxo-1,2-dihydropyridine-3-carbonitrile
4-(2,5-Dichlorphenyl)-6-(2-hydroxy-5-isobutylphenyl)-2-oxo-1,2-dihydro-3-pyridincarbonitril [German] [ACD/IUPAC Name]
4-(2,5-dichlorophenyl)-6-(2-hydroxy-5-isobutylphenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CHEMBL399196
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL399196/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 631.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 335.9±31.5 °C
Index of Refraction: 1.658
Molar Refractivity: 109.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.31
ACD/LogD (pH 5.5): 5.58
ACD/BCF (pH 5.5): 10111.41
ACD/KOC (pH 5.5): 25404.63
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 3328.36
ACD/KOC (pH 7.4): 8362.41
Polar Surface Area: 73 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 63.6±5.0 dyne/cm
Molar Volume: 297.9±5.0 cm3

Click to predict properties on the Chemicalize site


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