Found 2 results

Search term: JRLLKLDNWBDTKN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Ethyl (2R)-2-(4-acetamido-3-chlorophenyl)propanoate | C13H16ClNO3

Ethyl (2R)-2-(4-acetamido-3-chlorophenyl)propanoate

  • Molecular FormulaC13H16ClNO3
  • Average mass269.724 Da
  • Monoisotopic mass269.081879 Da
  • ChemSpider ID113060842

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-(4-Acétamido-3-chlorophényl)propanoate d'éthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-(acetylamino)-3-chloro-α-methyl-, ethyl ester, (αR)- [ACD/Index Name]
Ethyl (2R)-2-(4-acetamido-3-chlorophenyl)propanoate [ACD/IUPAC Name]
Ethyl-(2R)-2-(4-acetamido-3-chlorphenyl)propanoat [German] [ACD/IUPAC 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: 402.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 197.3±27.3 °C
Index of Refraction: 1.552
Molar Refractivity: 70.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.87
ACD/KOC (pH 5.5): 414.74
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.87
ACD/KOC (pH 7.4): 414.74
Polar Surface Area: 55 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 221.0±3.0 cm3

Click to predict properties on the Chemicalize site


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