ChemSpider 2D Image | 3-Bromo-4-cyanobenzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate | C20H16BrN3O3

3-Bromo-4-cyanobenzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate

  • Molecular FormulaC20H16BrN3O3
  • Average mass426.263 Da
  • Monoisotopic mass425.037506 Da
  • ChemSpider ID28668866

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,5'R)-2-Oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate de 3-bromo-4-cyanobenzyle [French] [ACD/IUPAC Name]
3-Brom-4-cyanbenzyl-(3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylat [German] [ACD/IUPAC Name]
3-Bromo-4-cyanobenzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate [ACD/IUPAC Name]
Spiro[3H-indole-3,3'-pyrrolidine]-5'-carboxylic acid, 1,2-dihydro-2-oxo-, (3-bromo-4-cyanophenyl)methyl ester, (3S,5'R)- [ACD/Index Name]
09G

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

Density: 1.6±0.1 g/cm3
Boiling Point: 653.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 348.8±31.5 °C
Index of Refraction: 1.690
Molar Refractivity: 101.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 1.03
ACD/KOC (pH 5.5): 11.67
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 31.38
ACD/KOC (pH 7.4): 356.12
Polar Surface Area: 91 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 73.9±5.0 dyne/cm
Molar Volume: 265.1±5.0 cm3

Click to predict properties on the Chemicalize site


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