ChemSpider 2D Image | Methyl 2-[({2-[4-(methylamino)-3-nitrobenzoyl]benzoyl}oxy)methyl]-3-furoate | C22H18N2O8

Methyl 2-[({2-[4-(methylamino)-3-nitrobenzoyl]benzoyl}oxy)methyl]-3-furoate

  • Molecular FormulaC22H18N2O8
  • Average mass438.387 Da
  • Monoisotopic mass438.106323 Da
  • ChemSpider ID22115200

More details:

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

2-[({2-[4-(Méthylamino)-3-nitrobenzoyl]benzoyl}oxy)méthyl]-3-furoate de méthyle [French] [ACD/IUPAC Name]
3-Furancarboxylic acid, 2-[[[2-[4-(methylamino)-3-nitrobenzoyl]benzoyl]oxy]methyl]-, methyl ester [ACD/Index Name]
Methyl 2-[({2-[4-(methylamino)-3-nitrobenzoyl]benzoyl}oxy)methyl]-3-furoate [ACD/IUPAC Name]
Methyl-2-[({2-[4-(methylamino)-3-nitrobenzoyl]benzoyl}oxy)methyl]-3-furoat [German] [ACD/IUPAC Name]
METHYL 2-({2-[4-(METHYLAMINO)-3-NITROBENZOYL]BENZOYLOXY}METHYL)FURAN-3-CARBOXYLATE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 622.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 330.1±31.5 °C
Index of Refraction: 1.625
Molar Refractivity: 112.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 551.39
ACD/KOC (pH 5.5): 3191.10
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 551.39
ACD/KOC (pH 7.4): 3191.10
Polar Surface Area: 141 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 318.1±3.0 cm3

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