ChemSpider 2D Image | {6-[4-Chloro(~2~H_4_)phenyl]-2,2-dimethyl-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl}acetic acid | C23H18D4ClNO2

{6-[4-Chloro(2H4)phenyl]-2,2-dimethyl-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl}acetic acid

  • Molecular FormulaC23H18D4ClNO2
  • Average mass383.904 Da
  • Monoisotopic mass383.159027 Da
  • ChemSpider ID48060241

  • Non-standard isotope - Non-standard isotope

More details:

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

{6-[4-Chlor(2H4)phenyl]-2,2-dimethyl-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl}essigsäure [German] [ACD/IUPAC Name]
{6-[4-Chloro(2H4)phenyl]-2,2-dimethyl-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl}acetic acid [ACD/IUPAC Name]
1H-Pyrrolizine-5-acetic acid, 6-(4-chlorophenyl-2,3,5,6-d4)-2,3-dihydro-2,2-dimethyl-7-phenyl- [ACD/Index Name]
Acide {6-[4-chloro(2H4)phényl]-2,2-diméthyl-7-phényl-2,3-dihydro-1H-pyrrolizin-5-yl}acétique [French] [ACD/IUPAC Name]
1189427-04-0 [RN]
2-[2-(4-chloro-2,3,5,6-tetradeuteriophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 539.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 280.2±30.1 °C
Index of Refraction: 1.627
Molar Refractivity: 108.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.73
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 2925.54
ACD/KOC (pH 5.5): 5235.93
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 46.22
ACD/KOC (pH 7.4): 82.73
Polar Surface Area: 42 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 306.9±7.0 cm3

Click to predict properties on the Chemicalize site


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