Found 4 results

Search term: MF = 'C_{28}H_{20}Cl_{2}N_{2}O_{9}'
ChemSpider 2D Image | 4-({[(2S)-3-Methyl-2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]oxy}acetyl)phenyl 2,4-dichlorobenzoate | C28H20Cl2N2O9

4-({[(2S)-3-Methyl-2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]oxy}acetyl)phenyl 2,4-dichlorobenzoate

  • Molecular FormulaC28H20Cl2N2O9
  • Average mass599.372 Da
  • Monoisotopic mass598.054565 Da
  • ChemSpider ID108341093

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2,4-Dichlorobenzoate de 4-(2-{[(2S)-3-méthyl-2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]oxy}acétyl)phényle [French] [ACD/IUPAC Name]
2H-Isoindole-2-acetic acid, 1,3-dihydro-α-(1-methylethyl)-4-nitro-1,3-dioxo-, 2-[4-[(2,4-dichlorobenzoyl)oxy]phenyl]-2-oxoethyl ester, (αS)- [ACD/Index Name]
4-({[(2S)-3-Methyl-2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]oxy}acetyl)phenyl 2,4-dichlorobenzoate [ACD/IUPAC Name]
4-({[(2S)-3-Methyl-2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]oxy}acetyl)phenyl-2,4-dichlorbenzoat [German] [ACD/IUPAC 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: 751.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 408.5±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 144.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 6.94
ACD/LogD (pH 5.5): 6.09
ACD/BCF (pH 5.5): 25187.44
ACD/KOC (pH 5.5): 49198.59
ACD/LogD (pH 7.4): 6.09
ACD/BCF (pH 7.4): 25187.44
ACD/KOC (pH 7.4): 49198.59
Polar Surface Area: 153 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 63.7±3.0 dyne/cm
Molar Volume: 403.2±3.0 cm3

Click to predict properties on the Chemicalize site


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