ChemSpider 2D Image | S-23 | C18H13ClF4N2O3

S-23

  • Molecular FormulaC18H13ClF4N2O3
  • Average mass416.754 Da
  • Monoisotopic mass416.055084 Da
  • ChemSpider ID24715019
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-3-(4-Chlor-3-fluorphenoxy)-N-[4-cyan-3-(trifluormethyl)phenyl]-2-hydroxy-2-methylpropanamid [German] [ACD/IUPAC Name]
(2S)-3-(4-Chloro-3-fluorophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide [ACD/IUPAC Name]
(2S)-3-(4-Chloro-3-fluorophénoxy)-N-[4-cyano-3-(trifluorométhyl)phényl]-2-hydroxy-2-méthylpropanamide [French] [ACD/IUPAC Name]
Propanamide, 3-(4-chloro-3-fluorophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-, (2S)- [ACD/Index Name]
1010396-29-8 [RN]
3-(4-chloro-3-fluorophenoxy)-N-[4-cyano-3-(trifluoromethyl) phenyl]-2-hydroxy-2-methylpropanamide
C-31
UNII:XDK89456WM
XDK89456WM

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

S-23 [DBID] [Wiki]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 577.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 302.8±30.1 °C
Index of Refraction: 1.566
Molar Refractivity: 91.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1429.67
ACD/KOC (pH 5.5): 6311.25
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1429.62
ACD/KOC (pH 7.4): 6311.03
Polar Surface Area: 82 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 280.6±5.0 cm3

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