ChemSpider 2D Image | 2-[1-(4-Bromophenyl)-2-carboxyethyl]-1,3-dioxo-5-isoindolinecarboxylic acid | C18H12BrNO6

2-[1-(4-Bromophenyl)-2-carboxyethyl]-1,3-dioxo-5-isoindolinecarboxylic acid

  • Molecular FormulaC18H12BrNO6
  • Average mass418.195 Da
  • Monoisotopic mass416.984802 Da
  • ChemSpider ID90623960

More details:

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

2-[1-(4-Bromophenyl)-2-carboxyethyl]-1,3-dioxo-5-isoindolinecarboxylic acid [ACD/IUPAC Name]
2-[1-(4-Bromphenyl)-2-carboxyethyl]-1,3-dioxo-5-isoindolincarbonsäure [German] [ACD/IUPAC Name]
2H-Isoindole-2-propanoic acid, β-(4-bromophenyl)-5-carboxy-1,3-dihydro-1,3-dioxo- [ACD/Index Name]
Acide 2-[1-(4-bromophényl)-2-carboxyéthyl]-1,3-dioxo-5-isoindolinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 664.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 355.4±31.5 °C
Index of Refraction: 1.703
Molar Refractivity: 92.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): -0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 81.4±3.0 dyne/cm
Molar Volume: 238.0±3.0 cm3

Click to predict properties on the Chemicalize site


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