ChemSpider 2D Image | 2-{4-[2-({[4-Chloro(~2~H_4_)phenyl]carbonyl}amino)(2,2-~2~H_2_)ethyl]phenoxy}-2-methylpropanoic acid | C19H14D6ClNO4

2-{4-[2-({[4-Chloro(2H4)phenyl]carbonyl}amino)(2,2-2H2)ethyl]phenoxy}-2-methylpropanoic acid

  • Molecular FormulaC19H14D6ClNO4
  • Average mass367.856 Da
  • Monoisotopic mass367.145752 Da
  • ChemSpider ID107437149

  • Non-standard isotope - Non-standard isotope

More details:

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

2-{4-[2-({[4-Chlor(2H4)phenyl]carbonyl}amino)(2,2-2H2)ethyl]phenoxy}-2-methylpropansäure [German] [ACD/IUPAC Name]
2-{4-[2-({[4-Chloro(2H4)phenyl]carbonyl}amino)(2,2-2H2)ethyl]phenoxy}-2-methylpropanoic acid [ACD/IUPAC Name]
Acide 2-{4-[2-({[4-chloro(2H4)phényl]carbonyl}amino)(2,2-2H2)éthyl]phénoxy}-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-[4-[2-[[(4-chlorophenyl-2,3,5,6-d4)carbonyl]amino]ethyl-2,2-d2]phenoxy]-2-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 572.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 299.8±28.7 °C
Index of Refraction: 1.583
Molar Refractivity: 96.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 1.63
ACD/KOC (pH 5.5): 11.70
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 287.1±3.0 cm3

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