ChemSpider 2D Image | 3,3-Dichloro-2-{[(2E)-3-phenyl-2-propenoyl]amino}acrylic acid | C12H9Cl2NO3

3,3-Dichloro-2-{[(2E)-3-phenyl-2-propenoyl]amino}acrylic acid

  • Molecular FormulaC12H9Cl2NO3
  • Average mass286.111 Da
  • Monoisotopic mass284.995941 Da
  • ChemSpider ID24758446

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Propenoic acid, 3,3-dichloro-2-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]amino]- [ACD/Index Name]
3,3-Dichlor-2-{[(2E)-3-phenyl-2-propenoyl]amino}acrylsäure [German] [ACD/IUPAC Name]
3,3-Dichloro-2-{[(2E)-3-phenyl-2-propenoyl]amino}acrylic acid [ACD/IUPAC Name]
Acide 3,3-dichloro-2-{[(2E)-3-phényl-2-propenoyl]amino}acrylique [French] [ACD/IUPAC Name]
2-((2E)-3-phenylprop-2-enoylamino)-3,3-dichloroprop-2-enoic acid
3,3-dichloro-2-[(2E)-3-phenylprop-2-enamido]prop-2-enoic acid
3,3-dichloro-2-{[(2E)-3-phenylprop-2-enoyl]amino}prop-2-enoic acid
3,3-dichloro-2-cinnamamidoacrylic acid
C12H9Cl2NO3

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

Density: 1.5±0.1 g/cm3
Boiling Point: 472.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 239.6±28.7 °C
Index of Refraction: 1.639
Molar Refractivity: 70.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): -0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 196.5±3.0 cm3

Click to predict properties on the Chemicalize site


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