ChemSpider 2D Image | 4-Chloro-3-(2-hydroxy-3-{[2-(~2~H_3_)methyl(~2~H_6_)-2-propanyl]amino}propoxy)benzoic acid | C14H11D9ClNO4

4-Chloro-3-(2-hydroxy-3-{[2-(2H3)methyl(2H6)-2-propanyl]amino}propoxy)benzoic acid

  • Molecular FormulaC14H11D9ClNO4
  • Average mass310.821 Da
  • Monoisotopic mass310.164581 Da
  • ChemSpider ID58779741
  • Non-standard isotope - Non-standard isotope


More details:






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

4-Chlor-3-(2-hydroxy-3-{[2-(2H3)methyl(2H6)-2-propanyl]amino}propoxy)benzoesäure [German] [ACD/IUPAC Name]
4-Chloro-3-(2-hydroxy-3-{[2-(2H3)methyl(2H6)-2-propanyl]amino}propoxy)benzoic acid [ACD/IUPAC Name]
Acide 4-chloro-3-(2-hydroxy-3-{[2-(2H3)méthyl(2H6)-2-propanyl]amino}propoxy)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-chloro-3-[3-[[1,1-di(methyl-d3)ethyl-2,2,2-d3]amino]-2-hydroxypropoxy]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 484.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 246.7±28.7 °C
Index of Refraction: 1.550
Molar Refractivity: 77.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.98
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.99
Polar Surface Area: 79 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 243.7±3.0 cm3

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