ChemSpider 2D Image | Ethyl 5-chloro-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-indanecarboxylate | C17H22ClNO4

Ethyl 5-chloro-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-indanecarboxylate

  • Molecular FormulaC17H22ClNO4
  • Average mass339.814 Da
  • Monoisotopic mass339.123749 Da
  • ChemSpider ID29362299

More details:

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

1H-Indene-2-carboxylic acid, 5-chloro-2-[[(1,1-dimethylethoxy)carbonyl]amino]-2,3-dihydro-, ethyl ester [ACD/Index Name]
5-Chloro-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-2-indanecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-chloro-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-indanecarboxylate [ACD/IUPAC Name]
Ethyl-5-chlor-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-indancarboxylat [German] [ACD/IUPAC Name]
1427501-60-7 [RN]
Ethyl 2-((tert-butoxycarbonyl)amino)-5-chloro-2,3-dihydro-1H-indene-2-carboxylate
ETHYL 2-(BOC-AMINO)-5-CHLORO-2,3-DIHYDRO-1H-INDENE-2-CARBOXYLATE
MFCD23703185

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 442.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.0±3.0 kJ/mol
    Flash Point: 221.2±28.7 °C
    Index of Refraction: 1.547
    Molar Refractivity: 87.8±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.44
    ACD/LogD (pH 5.5): 4.47
    ACD/BCF (pH 5.5): 1462.56
    ACD/KOC (pH 5.5): 6414.82
    ACD/LogD (pH 7.4): 4.47
    ACD/BCF (pH 7.4): 1459.92
    ACD/KOC (pH 7.4): 6403.20
    Polar Surface Area: 65 Å2
    Polarizability: 34.8±0.5 10-24cm3
    Surface Tension: 46.3±5.0 dyne/cm
    Molar Volume: 276.9±5.0 cm3

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