ChemSpider 2D Image | Ethyl 3-[4-chloro-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)phenyl]propanoate | C16H22ClNO4

Ethyl 3-[4-chloro-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)phenyl]propanoate

  • Molecular FormulaC16H22ClNO4
  • Average mass327.803 Da
  • Monoisotopic mass327.123749 Da
  • ChemSpider ID26527200

More details:

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

3-[4-Chloro-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)phényl]propanoate d'éthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-chloro-3-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 3-[4-chloro-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)phenyl]propanoate [ACD/IUPAC Name]
Ethyl-3-[4-chlor-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)phenyl]propanoat [German] [ACD/IUPAC Name]
1258595-00-4 [RN]
Ethyl 3-(3-((tert-butoxycarbonyl)amino)-4-chlorophenyl)propanoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 375.2±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.3±3.0 kJ/mol
Flash Point: 180.7±26.5 °C
Index of Refraction: 1.537
Molar Refractivity: 86.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 857.20
ACD/KOC (pH 5.5): 4376.23
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 857.20
ACD/KOC (pH 7.4): 4376.22
Polar Surface Area: 65 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 276.2±3.0 cm3

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