ChemSpider 2D Image | (2S)-1-Ethoxy-1-oxo-2-propanyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate | C19H15ClF3NO7

(2S)-1-Ethoxy-1-oxo-2-propanyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate

  • Molecular FormulaC19H15ClF3NO7
  • Average mass461.773 Da
  • Monoisotopic mass461.048920 Da
  • ChemSpider ID34991972
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-1-Ethoxy-1-oxo-2-propanyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate [ACD/IUPAC Name]
(2S)-1-Ethoxy-1-oxo-2-propanyl-5-[2-chlor-4-(trifluormethyl)phenoxy]-2-nitrobenzoat [German] [ACD/IUPAC Name]
5-[2-Chloro-4-(trifluorométhyl)phénoxy]-2-nitrobenzoate de (2S)-1-éthoxy-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, (1S)-2-ethoxy-1-methyl-2-oxoethyl ester [ACD/Index Name]
77501-63-4 [RN]
Lactofen [BSI] [ISO] [Wiki]
UNII-L44N8UV47O

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

Density: 1.4±0.1 g/cm3
Boiling Point: 494.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 252.6±28.7 °C
Index of Refraction: 1.535
Molar Refractivity: 101.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1720.97
ACD/KOC (pH 5.5): 7207.16
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1720.97
ACD/KOC (pH 7.4): 7207.16
Polar Surface Area: 108 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 325.1±3.0 cm3

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