ChemSpider 2D Image | Methyl (1S,3R)-3-(2,2-dichlorovinyl)-2,2-dimethyl-1-(3-phenoxyphenyl)cyclopropanecarboxylate | C21H20Cl2O3

Methyl (1S,3R)-3-(2,2-dichlorovinyl)-2,2-dimethyl-1-(3-phenoxyphenyl)cyclopropanecarboxylate

  • Molecular FormulaC21H20Cl2O3
  • Average mass391.288 Da
  • Monoisotopic mass390.078949 Da
  • ChemSpider ID52564081

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,3R)-3-(2,2-Dichlorovinyl)-2,2-diméthyl-1-(3-phénoxyphényl)cyclopropanecarboxylate de méthyle [French] [ACD/IUPAC Name]
51877-74-8 [RN]
Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-1-(3-phenoxyphenyl)-, methyl ester, (1S,3R)- [ACD/Index Name]
Methyl (1S,3R)-3-(2,2-dichlorovinyl)-2,2-dimethyl-1-(3-phenoxyphenyl)cyclopropanecarboxylate [ACD/IUPAC Name]
Methyl-(1S,3R)-3-(2,2-dichlorvinyl)-2,2-dimethyl-1-(3-phenoxyphenyl)cyclopropancarboxylat [German] [ACD/IUPAC Name]
(3-PHENOXYPHENYL)METHYL (1S,3R)-3-(2,2-DICHLOROETHENYL)-2,2-DIMETHYL-C YCLOPROPANE-1-CARBOXYLATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 460.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 156.7±27.7 °C
Index of Refraction: 1.610
Molar Refractivity: 105.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 6.73
ACD/BCF (pH 5.5): 76552.66
ACD/KOC (pH 5.5): 109023.21
ACD/LogD (pH 7.4): 6.73
ACD/BCF (pH 7.4): 76552.66
ACD/KOC (pH 7.4): 109023.21
Polar Surface Area: 36 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 304.4±3.0 cm3

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