ChemSpider 2D Image | 2-Methyl-2-propanyl 5-iodo-1,3-dihydro-2H-isoindole-2-carboxylate | C13H16INO2

2-Methyl-2-propanyl 5-iodo-1,3-dihydro-2H-isoindole-2-carboxylate

  • Molecular FormulaC13H16INO2
  • Average mass345.176 Da
  • Monoisotopic mass345.022552 Da
  • ChemSpider ID28425238

More details:






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

2H-Isoindole-2-carboxylic acid, 1,3-dihydro-5-iodo-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 5-iodo-1,3-dihydro-2H-isoindole-2-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-iod-1,3-dihydro-2H-isoindol-2-carboxylat [German] [ACD/IUPAC Name]
5-Iodo-1,3-dihydro-2H-isoindole-2-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Boc-5-Iodo-1,3-dihydroisoindole
5-Iodo-1,3-dihydro-isoindole-2-carboxylic acid tert-butyl ester
905274-26-2 [RN]
MFCD11878369 [MDL number]
tert-Butyl 5-iodoisoindoline-2-carboxylate
tert-Butyl5-iodoisoindoline-2-carboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 373.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.1±3.0 kJ/mol
Flash Point: 179.7±27.9 °C
Index of Refraction: 1.602
Molar Refractivity: 75.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 523.79
ACD/KOC (pH 5.5): 3075.93
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 523.79
ACD/KOC (pH 7.4): 3075.93
Polar Surface Area: 30 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 218.8±3.0 cm3

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