ChemSpider 2D Image | 6-Bromo-3-(4-chlorophenyl)-3-hydroxy-2-(4-nitrobenzyl)-1-isoindolinone | C21H14BrClN2O4

6-Bromo-3-(4-chlorophenyl)-3-hydroxy-2-(4-nitrobenzyl)-1-isoindolinone

  • Molecular FormulaC21H14BrClN2O4
  • Average mass473.704 Da
  • Monoisotopic mass471.982544 Da
  • ChemSpider ID58914320

More details:

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

1H-Isoindol-1-one, 6-bromo-3-(4-chlorophenyl)-2,3-dihydro-3-hydroxy-2-[(4-nitrophenyl)methyl]- [ACD/Index Name]
6-Brom-3-(4-chlorphenyl)-3-hydroxy-2-(4-nitrobenzyl)-1-isoindolinon [German] [ACD/IUPAC Name]
6-Bromo-3-(4-chlorophenyl)-3-hydroxy-2-(4-nitrobenzyl)-1-isoindolinone [ACD/IUPAC Name]
6-Bromo-3-(4-chlorophényl)-3-hydroxy-2-(4-nitrobenzyl)-1-isoindolinone [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 673.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 360.9±31.5 °C
Index of Refraction: 1.717
Molar Refractivity: 111.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 753.58
ACD/KOC (pH 5.5): 3990.69
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 753.05
ACD/KOC (pH 7.4): 3987.92
Polar Surface Area: 86 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 73.1±3.0 dyne/cm
Molar Volume: 284.0±3.0 cm3

Click to predict properties on the Chemicalize site


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