ChemSpider 2D Image | 2-{[4-Chloro-2-methyl(~2~H_3_)phenyl]oxy}(3,3,3-~2~H_3_)propanoic acid | C10H5D6ClO3

2-{[4-Chloro-2-methyl(2H3)phenyl]oxy}(3,3,3-2H3)propanoic acid

  • Molecular FormulaC10H5D6ClO3
  • Average mass220.682 Da
  • Monoisotopic mass220.077332 Da
  • ChemSpider ID60498016

  • Non-standard isotope - Non-standard isotope

More details:

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

2-{[4-Chlor-2-methyl(2H3)phenyl]oxy}(3,3,3-2H3)propansäure [German] [ACD/IUPAC Name]
2-{[4-Chloro-2-methyl(2H3)phenyl]oxy}(3,3,3-2H3)propanoic acid [ACD/IUPAC Name]
Acide 2-{[4-chloro-2-méthyl(2H3)phényl]oxy}(3,3,3-2H3)propanoïque [French] [ACD/IUPAC Name]
Propanoic-3,3,3-d3 acid, 2-[(4-chloro-6-methylphenyl-2,3,5-d3)oxy]- [ACD/Index Name]
(?)-2-(4-Chloromethylphenoxy-d3)-propionic-3,3,3-d3 Acid
Mecoprop [BSI] [ISO]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 331.9±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.6±3.0 kJ/mol
Flash Point: 154.5±23.7 °C
Index of Refraction: 1.542
Molar Refractivity: 53.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.94
ACD/LogD (pH 7.4): -0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 169.7±3.0 cm3

Click to predict properties on the Chemicalize site


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