ChemSpider 2D Image | Propyl 2-chloro-5-({[4-(ethoxycarbonyl)-2-nitrophenoxy]acetyl}amino)benzoate | C21H21ClN2O8

Propyl 2-chloro-5-({[4-(ethoxycarbonyl)-2-nitrophenoxy]acetyl}amino)benzoate

  • Molecular FormulaC21H21ClN2O8
  • Average mass464.853 Da
  • Monoisotopic mass464.098633 Da
  • ChemSpider ID64815412

More details:

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

2-Chloro-5-({2-[4-(éthoxycarbonyl)-2-nitrophénoxy]acétyl}amino)benzoate de propyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-chloro-5-[[2-[4-(ethoxycarbonyl)-2-nitrophenoxy]acetyl]amino]-, propyl ester [ACD/Index Name]
Propyl 2-chloro-5-({[4-(ethoxycarbonyl)-2-nitrophenoxy]acetyl}amino)benzoate [ACD/IUPAC Name]
Propyl-2-chlor-5-({[4-(ethoxycarbonyl)-2-nitrophenoxy]acetyl}amino)benzoat [German] [ACD/IUPAC Name]
MFCD31565685

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

Density: 1.4±0.1 g/cm3
Boiling Point: 676.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 362.8±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 115.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1034.48
ACD/KOC (pH 5.5): 5006.55
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1034.43
ACD/KOC (pH 7.4): 5006.29
Polar Surface Area: 137 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 340.0±3.0 cm3

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