ChemSpider 2D Image | Ethyl 3-[(2-bromoethyl){[(4-nitrobenzyl)oxy]carbonyl}amino]-3-oxopropanoate | C15H17BrN2O7

Ethyl 3-[(2-bromoethyl){[(4-nitrobenzyl)oxy]carbonyl}amino]-3-oxopropanoate

  • Molecular FormulaC15H17BrN2O7
  • Average mass417.209 Da
  • Monoisotopic mass416.021912 Da
  • ChemSpider ID103547981

More details:

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

3-[(2-Bromoéthyl){[(4-nitrobenzyl)oxy]carbonyl}amino]-3-oxopropanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-[(2-bromoethyl){[(4-nitrobenzyl)oxy]carbonyl}amino]-3-oxopropanoate [ACD/IUPAC Name]
Ethyl-3-[(2-bromethyl){[(4-nitrobenzyl)oxy]carbonyl}amino]-3-oxopropanoat [German] [ACD/IUPAC Name]
Propanoic acid, 3-[(2-bromoethyl)[[(4-nitrophenyl)methoxy]carbonyl]amino]-3-oxo-, ethyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 576.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 302.2±30.1 °C
Index of Refraction: 1.569
Molar Refractivity: 89.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 47.98
ACD/KOC (pH 5.5): 555.82
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 47.98
ACD/KOC (pH 7.4): 555.77
Polar Surface Area: 119 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 274.2±3.0 cm3

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