ChemSpider 2D Image | (2E)-1-(3-Chloro-4-fluorophenyl)-3-(4-hydroxy-3-nitrophenyl)-2-propen-1-one | C15H9ClFNO4

(2E)-1-(3-Chloro-4-fluorophenyl)-3-(4-hydroxy-3-nitrophenyl)-2-propen-1-one

  • Molecular FormulaC15H9ClFNO4
  • Average mass321.688 Da
  • Monoisotopic mass321.020416 Da
  • ChemSpider ID76869113

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-(3-Chlor-4-fluorphenyl)-3-(4-hydroxy-3-nitrophenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-(3-Chloro-4-fluorophenyl)-3-(4-hydroxy-3-nitrophenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-(3-Chloro-4-fluorophényl)-3-(4-hydroxy-3-nitrophényl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-(3-chloro-4-fluorophenyl)-3-(4-hydroxy-3-nitrophenyl)-, (2E)- [ACD/Index 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: 473.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 240.3±28.7 °C
Index of Refraction: 1.666
Molar Refractivity: 80.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 755.17
ACD/KOC (pH 5.5): 3779.94
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 51.00
ACD/KOC (pH 7.4): 255.29
Polar Surface Area: 83 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 61.0±3.0 dyne/cm
Molar Volume: 216.3±3.0 cm3

Click to predict properties on the Chemicalize site


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