ChemSpider 2D Image | (2Z,5E)-6-[4-(4-Fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxo-2,5-hexadienoic acid | C17H12FNO5

(2Z,5E)-6-[4-(4-Fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxo-2,5-hexadienoic acid

  • Molecular FormulaC17H12FNO5
  • Average mass329.279 Da
  • Monoisotopic mass329.069946 Da
  • ChemSpider ID35033625

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z,5E)-6-[4-(4-Fluorbenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxo-2,5-hexadiensäure [German] [ACD/IUPAC Name]
(2Z,5E)-6-[4-(4-Fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxo-2,5-hexadienoic acid [ACD/IUPAC Name]
(2z,5e)-6-[4-(4-Fluorobenzoyl)-1h-Pyrrol-2-Yl]-2-Hydroxy-4-Oxohexa-2,5-Dienoic Acid
2,5-Hexadienoic acid, 6-[4-(4-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxo-, (2Z,5E)- [ACD/Index Name]
Acide (2Z,5E)-6-[4-(4-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxo-2,5-hexadiénoïque [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 625.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 332.0±31.5 °C
Index of Refraction: 1.669
Molar Refractivity: 83.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.89
ACD/LogD (pH 5.5): -1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 68.8±3.0 dyne/cm
Molar Volume: 223.2±3.0 cm3

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