ChemSpider 2D Image | 2-Benzyl-5-bromo-6-nitroisoindoline-1,3-dione | C15H9BrN2O4

2-Benzyl-5-bromo-6-nitroisoindoline-1,3-dione

  • Molecular FormulaC15H9BrN2O4
  • Average mass361.147 Da
  • Monoisotopic mass359.974548 Da
  • ChemSpider ID34452228

More details:

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

1239879-90-3 [RN]
1H-Isoindole-1,3(2H)-dione, 5-bromo-6-nitro-2-(phenylmethyl)- [ACD/Index Name]
2-Benzyl-5-brom-6-nitro-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-Benzyl-5-bromo-6-nitro-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-Benzyl-5-bromo-6-nitro-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
2-Benzyl-5-bromo-6-nitroisoindoline-1,3-dione
MFCD28142683

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

Density: 1.7±0.1 g/cm3
Boiling Point: 492.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 251.6±28.7 °C
Index of Refraction: 1.703
Molar Refractivity: 81.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 310.22
ACD/KOC (pH 5.5): 2114.19
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 310.22
ACD/KOC (pH 7.4): 2114.19
Polar Surface Area: 83 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 73.2±3.0 dyne/cm
Molar Volume: 208.9±3.0 cm3

Click to predict properties on the Chemicalize site


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