ChemSpider 2D Image | (1E)-1-Ethoxy-1-hydroxy-1-propen-2-yl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate | C19H15ClF3NO7

(1E)-1-Ethoxy-1-hydroxy-1-propen-2-yl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate

  • Molecular FormulaC19H15ClF3NO7
  • Average mass461.773 Da
  • Monoisotopic mass461.048920 Da
  • ChemSpider ID95790432

More details:

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

(1E)-1-Ethoxy-1-hydroxy-1-propen-2-yl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate [ACD/IUPAC Name]
(1E)-1-Ethoxy-1-hydroxy-1-propen-2-yl-5-[2-chlor-4-(trifluormethyl)phenoxy]-2-nitrobenzoat [German] [ACD/IUPAC Name]
5-[2-Chloro-4-(trifluorométhyl)phénoxy]-2-nitrobenzoate de (1E)-1-éthoxy-1-hydroxy-1-propén-2-yle [French] [ACD/IUPAC Name]
Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, (E)-2-ethoxy-2-hydroxy-1-methylethenyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 507.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 260.5±30.1 °C
Index of Refraction: 1.557
Molar Refractivity: 102.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2040.03
ACD/KOC (pH 5.5): 8139.88
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 2018.90
ACD/KOC (pH 7.4): 8055.58
Polar Surface Area: 111 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 318.3±3.0 cm3

Click to predict properties on the Chemicalize site


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