ChemSpider 2D Image | 2-{4-[(1R)-2,2-Dichlorocyclopropyl]phenoxy}-2-(~2~H_3_)methyl(~2~H_3_)propanoic acid | C13H8D6Cl2O3

2-{4-[(1R)-2,2-Dichlorocyclopropyl]phenoxy}-2-(2H3)methyl(2H3)propanoic acid

  • Molecular FormulaC13H8D6Cl2O3
  • Average mass295.191 Da
  • Monoisotopic mass294.069672 Da
  • ChemSpider ID68894523

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2-{4-[(1R)-2,2-Dichlorcyclopropyl]phenoxy}-2-(2H3)methyl(2H3)propansäure [German] [ACD/IUPAC Name]
2-{4-[(1R)-2,2-Dichlorocyclopropyl]phenoxy}-2-(2H3)methyl(2H3)propanoic acid [ACD/IUPAC Name]
Acide 2-{4-[(1R)-2,2-dichlorocyclopropyl]phénoxy}-2-(2H3)méthyl(2H3)propanoïque [French] [ACD/IUPAC Name]
Propanoic-3,3,3-d3 acid, 2-[4-[(1R)-2,2-dichlorocyclopropyl]phenoxy]-2-(methyl-d3)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 424.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 210.7±28.7 °C
Index of Refraction: 1.579
Molar Refractivity: 70.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 1.33
ACD/KOC (pH 5.5): 10.20
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 211.1±5.0 cm3

Click to predict properties on the Chemicalize site


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