ChemSpider 2D Image | 4-[3-(3,5-Dichloro-2-methoxybenzoyl)-4-hydroxy-5-oxo-2-(3-pyridinyl)-2,5-dihydro-1H-pyrrol-1-yl]benzonitrile | C24H15Cl2N3O4

4-[3-(3,5-Dichloro-2-methoxybenzoyl)-4-hydroxy-5-oxo-2-(3-pyridinyl)-2,5-dihydro-1H-pyrrol-1-yl]benzonitrile

  • Molecular FormulaC24H15Cl2N3O4
  • Average mass480.300 Da
  • Monoisotopic mass479.043976 Da
  • ChemSpider ID34876022

More details:

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

4-[3-(3,5-Dichlor-2-methoxybenzoyl)-4-hydroxy-5-oxo-2-(3-pyridinyl)-2,5-dihydro-1H-pyrrol-1-yl]benzonitril [German] [ACD/IUPAC Name]
4-[3-(3,5-Dichloro-2-methoxybenzoyl)-4-hydroxy-5-oxo-2-(3-pyridinyl)-2,5-dihydro-1H-pyrrol-1-yl]benzonitrile [ACD/IUPAC Name]
4-[3-(3,5-Dichloro-2-méthoxybenzoyl)-4-hydroxy-5-oxo-2-(3-pyridinyl)-2,5-dihydro-1H-pyrrol-1-yl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[3-(3,5-dichloro-2-methoxybenzoyl)-2,5-dihydro-4-hydroxy-5-oxo-2-(3-pyridinyl)-1H-pyrrol-1-yl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 702.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 378.6±32.9 °C
Index of Refraction: 1.709
Molar Refractivity: 120.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 18.02
ACD/KOC (pH 5.5): 136.88
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.53
Polar Surface Area: 104 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 81.6±5.0 dyne/cm
Molar Volume: 309.4±5.0 cm3

Click to predict properties on the Chemicalize site


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