ChemSpider 2D Image | 2-Methyl-2-propanyl (2S)-2-[(1S)-1-(4-bromophenyl)-2-nitroethyl]-5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate | C17H19BrN2O5

2-Methyl-2-propanyl (2S)-2-[(1S)-1-(4-bromophenyl)-2-nitroethyl]-5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate

  • Molecular FormulaC17H19BrN2O5
  • Average mass411.247 Da
  • Monoisotopic mass410.047729 Da
  • ChemSpider ID29328643

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-[(1S)-1-(4-Bromophényl)-2-nitroéthyl]-5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1H-Pyrrole-1-carboxylic acid, 2-[(1S)-1-(4-bromophenyl)-2-nitroethyl]-2,5-dihydro-5-oxo-, 1,1-dimethylethyl ester, (2S)- [ACD/Index Name]
2-Methyl-2-propanyl (2S)-2-[(1S)-1-(4-bromophenyl)-2-nitroethyl]-5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S)-2-[(1S)-1-(4-bromphenyl)-2-nitroethyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-carboxylat [German] [ACD/IUPAC Name]
(S)-tert-Butyl 2-((S)-1-(4-bromophenyl)-2-nitroethyl)-5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 509.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 261.8±32.9 °C
Index of Refraction: 1.584
Molar Refractivity: 94.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 122.98
ACD/KOC (pH 5.5): 1088.40
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 84.06
ACD/KOC (pH 7.4): 743.90
Polar Surface Area: 92 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 281.3±3.0 cm3

Click to predict properties on the Chemicalize site


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