Found 4 results

Search term: MF = 'C_{28}H_{20}Cl_{2}N_{2}O_{9}'
ChemSpider 2D Image | Methyl 4-{[3-(2,4-dichlorobenzoyl)-4-hydroxy-2-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]methyl}benzoate | C28H20Cl2N2O9

Methyl 4-{[3-(2,4-dichlorobenzoyl)-4-hydroxy-2-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]methyl}benzoate

  • Molecular FormulaC28H20Cl2N2O9
  • Average mass599.372 Da
  • Monoisotopic mass598.054565 Da
  • ChemSpider ID118230101

More details:

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

4-{[3-(2,4-Dichlorobenzoyl)-4-hydroxy-2-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]méthyl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[3-(2,4-dichlorobenzoyl)-2-(2,3-dihydro-7-nitro-1,4-benzodioxin-6-yl)-2,5-dihydro-4-hydroxy-5-oxo-1H-pyrrol-1-yl]methyl]-, methyl ester [ACD/Index Name]
Methyl 4-{[3-(2,4-dichlorobenzoyl)-4-hydroxy-2-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]methyl}benzoate [ACD/IUPAC Name]
Methyl-4-{[3-(2,4-dichlorbenzoyl)-4-hydroxy-2-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]methyl}benzoat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 793.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.0±3.0 kJ/mol
Flash Point: 433.5±32.9 °C
Index of Refraction: 1.681
Molar Refractivity: 145.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 230.44
ACD/KOC (pH 5.5): 865.24
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 3.97
ACD/KOC (pH 7.4): 14.93
Polar Surface Area: 148 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 71.1±3.0 dyne/cm
Molar Volume: 384.6±3.0 cm3

Click to predict properties on the Chemicalize site


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