ChemSpider 2D Image | Methyl N-(3,4-dichloro-5-nitrobenzoyl)-beta-alaninate | C11H10Cl2N2O5

Methyl N-(3,4-dichloro-5-nitrobenzoyl)-β-alaninate

  • Molecular FormulaC11H10Cl2N2O5
  • Average mass321.113 Da
  • Monoisotopic mass319.996674 Da
  • ChemSpider ID26439551

More details:

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

Methyl N-(3,4-dichloro-5-nitrobenzoyl)-β-alaninate [ACD/IUPAC Name]
Methyl-N-(3,4-dichlor-5-nitrobenzoyl)-β-alaninat [German] [ACD/IUPAC Name]
N-(3,4-Dichloro-5-nitrobenzoyl)-β-alaninate de méthyle [French] [ACD/IUPAC Name]
β-Alanine, N-(3,4-dichloro-5-nitrobenzoyl)-, methyl ester [ACD/Index Name]
methyl 3-[(3,4-dichloro-5-nitrophenyl)formamido]propanoate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 429.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 213.6±28.7 °C
Index of Refraction: 1.572
Molar Refractivity: 71.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.33
ACD/KOC (pH 5.5): 419.02
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.33
ACD/KOC (pH 7.4): 418.99
Polar Surface Area: 101 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 218.5±3.0 cm3

Click to predict properties on the Chemicalize site


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