ChemSpider 2D Image | (2E)-3-(4-Bromophenyl)-1-(4,4''-difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-2-propen-1-one | C28H19BrF2O2

(2E)-3-(4-Bromophenyl)-1-(4,4''-difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-2-propen-1-one

  • Molecular FormulaC28H19BrF2O2
  • Average mass505.350 Da
  • Monoisotopic mass504.053650 Da
  • ChemSpider ID30658235

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4-Bromophenyl)-1-(4,4''-difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-(4-Bromophényl)-1-(4,4''-difluoro-5'-méthoxy-1,1':3',1''-terphényl-4'-yl)-2-propén-1-one [French] [ACD/IUPAC Name]
(2E)-3-(4-Bromphenyl)-1-(4,4''-difluor-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-2-propen-1-on [German] [ACD/IUPAC Name]
2-Propen-1-one, 3-(4-bromophenyl)-1-(4,4''-difluoro-5'-methoxy[1,1':3',1''-terphenyl]-4'-yl)-, (2E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 623.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 330.7±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 130.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.59
ACD/LogD (pH 5.5): 6.95
ACD/BCF (pH 5.5): 113643.20
ACD/KOC (pH 5.5): 144656.02
ACD/LogD (pH 7.4): 6.95
ACD/BCF (pH 7.4): 113643.20
ACD/KOC (pH 7.4): 144656.02
Polar Surface Area: 26 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 369.0±3.0 cm3

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