ChemSpider 2D Image | {3-[(2-Chloro-4-fluorobenzyl)oxy]-1-azetidinyl}[4-(2-methyl-2-propanyl)phenyl]methanone | C21H23ClFNO2

{3-[(2-Chloro-4-fluorobenzyl)oxy]-1-azetidinyl}[4-(2-methyl-2-propanyl)phenyl]methanone

  • Molecular FormulaC21H23ClFNO2
  • Average mass375.864 Da
  • Monoisotopic mass375.140137 Da
  • ChemSpider ID29079397

More details:

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

{3-[(2-Chlor-4-fluorbenzyl)oxy]-1-azetidinyl}[4-(2-methyl-2-propanyl)phenyl]methanon [German] [ACD/IUPAC Name]
{3-[(2-Chloro-4-fluorobenzyl)oxy]-1-azetidinyl}[4-(2-methyl-2-propanyl)phenyl]methanone [ACD/IUPAC Name]
{3-[(2-Chloro-4-fluorobenzyl)oxy]-1-azétidinyl}[4-(2-méthyl-2-propanyl)phényl]méthanone [French] [ACD/IUPAC Name]
Methanone, [3-[(2-chloro-4-fluorophenyl)methoxy]-1-azetidinyl][4-(1,1-dimethylethyl)phenyl]- [ACD/Index Name]
1-(4-tert-butylbenzoyl)-3-[(2-chloro-4-fluorobenzyl)oxy]azetidine
1-(4-TERT-BUTYLBENZOYL)-3-[(2-CHLORO-4-FLUOROPHENYL)METHOXY]AZETIDINE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 487.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 248.5±28.7 °C
Index of Refraction: 1.584
Molar Refractivity: 101.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 2361.61
ACD/KOC (pH 5.5): 9039.38
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2361.61
ACD/KOC (pH 7.4): 9039.38
Polar Surface Area: 30 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 304.0±5.0 cm3

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