ChemSpider 2D Image | (2S)-2-[(1R)-1-(4-Bromophenyl)-2-methoxy-2-oxoethyl]pyrrolidinium | C13H17BrNO2

(2S)-2-[(1R)-1-(4-Bromophenyl)-2-methoxy-2-oxoethyl]pyrrolidinium

  • Molecular FormulaC13H17BrNO2
  • Average mass299.183 Da
  • Monoisotopic mass298.043701 Da
  • ChemSpider ID34975370

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-[(1R)-1-(4-Bromophenyl)-2-methoxy-2-oxoethyl]pyrrolidinium [ACD/IUPAC Name]
(2S)-2-[(1R)-1-(4-Bromophényl)-2-méthoxy-2-oxoéthyl]pyrrolidinium [French] [ACD/IUPAC Name]
(2S)-2-[(1R)-1-(4-Bromphenyl)-2-methoxy-2-oxoethyl]pyrrolidinium [German] [ACD/IUPAC Name]
2-Pyrrolidineacetic acid, α-(4-bromophenyl)-, methyl ester, conjugate acid, (αR,2S)- [ACD/Index Name]
CHEMBL301798

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

Density:
Boiling Point: 369.9±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.7±3.0 kJ/mol
Flash Point: 177.5±22.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): -0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 1.39
ACD/KOC (pH 7.4): 14.98
Polar Surface Area: 43 Å2
Polarizability:
Surface Tension:
Molar Volume:

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