ChemSpider 2D Image | (2E)-3-[3-Nitro-4-(trifluoromethyl)phenyl]acrylic acid | C10H6F3NO4

(2E)-3-[3-Nitro-4-(trifluoromethyl)phenyl]acrylic acid

  • Molecular FormulaC10H6F3NO4
  • Average mass261.154 Da
  • Monoisotopic mass261.024902 Da
  • ChemSpider ID24583698

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[3-Nitro-4-(trifluormethyl)phenyl]acrylsäure [German] [ACD/IUPAC Name]
(2E)-3-[3-Nitro-4-(trifluoromethyl)phenyl]acrylic acid [ACD/IUPAC Name]
2-Propenoic acid, 3-[3-nitro-4-(trifluoromethyl)phenyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-[3-nitro-4-(trifluorométhyl)phényl]acrylique [French] [ACD/IUPAC Name]
1227625-87-7 [RN]
3-(3-Nitro-4-(trifluoromethyl)phenyl)acrylic acid
3-Nitro-4-(trifluoromethyl)cinnamic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 363.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.3±3.0 kJ/mol
Flash Point: 173.8±27.9 °C
Index of Refraction: 1.562
Molar Refractivity: 55.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 1.54
ACD/KOC (pH 5.5): 16.47
ACD/LogD (pH 7.4): -0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 170.4±3.0 cm3

Click to predict properties on the Chemicalize site


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