ChemSpider 2D Image | Cyano(4-fluoro-3-phenoxyphenyl)methyl (3S)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate | C22H18Cl2FNO3

Cyano(4-fluoro-3-phenoxyphenyl)methyl (3S)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate

  • Molecular FormulaC22H18Cl2FNO3
  • Average mass434.288 Da
  • Monoisotopic mass433.064789 Da
  • ChemSpider ID18535720
  • defined stereocentres - 2 of 3 defined stereocentres


More details:






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

(1R,3S)-3-(2,2-Dichlorovinyl)-2,2-diméthylcyclopropanecarboxylate de cyano(4-fluoro-3-phénoxyphényl)méthyle [French] [ACD/IUPAC Name]
Cyan(4-fluor-3-phenoxyphenyl)methyl-(1R,3S)-3-(2,2-dichlorvinyl)-2,2-dimethylcyclopropancarboxylat [German] [ACD/IUPAC Name]
Cyano(4-fluoro-3-phenoxyphenyl)methyl (1R,3S)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate [ACD/IUPAC Name]
Cyano(4-fluoro-3-phenoxyphenyl)methyl (3S)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate
Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, cyano(4-fluoro-3-phenoxyphenyl)methyl ester, (1R,3S)- [ACD/Index Name]
MFCD00078636 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 496.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 253.9±28.7 °C
Index of Refraction: 1.611
Molar Refractivity: 110.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 6.13
ACD/BCF (pH 5.5): 26828.33
ACD/KOC (pH 5.5): 51472.13
ACD/LogD (pH 7.4): 6.13
ACD/BCF (pH 7.4): 26828.33
ACD/KOC (pH 7.4): 51472.13
Polar Surface Area: 59 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 317.4±3.0 cm3

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