ChemSpider 2D Image | Methyl 1-(4-bromo-3-fluorobenzyl)-3-azetidinecarboxylate | C12H13BrFNO2

Methyl 1-(4-bromo-3-fluorobenzyl)-3-azetidinecarboxylate

  • Molecular FormulaC12H13BrFNO2
  • Average mass302.139 Da
  • Monoisotopic mass301.011353 Da
  • ChemSpider ID58170518

More details:

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

1-(4-Bromo-3-fluorobenzyl)-3-azétidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Azetidinecarboxylic acid, 1-[(4-bromo-3-fluorophenyl)methyl]-, methyl ester [ACD/Index Name]
Methyl 1-(4-bromo-3-fluorobenzyl)-3-azetidinecarboxylate [ACD/IUPAC Name]
Methyl-1-(4-brom-3-fluorbenzyl)-3-azetidincarboxylat [German] [ACD/IUPAC Name]
950691-66-4 [RN]
Methyl 1-(4-bromo-3-fluorobenzyl)azetidine-3-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: 323.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.6±3.0 kJ/mol
Flash Point: 149.5±27.9 °C
Index of Refraction: 1.571
Molar Refractivity: 65.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 3.25
ACD/KOC (pH 5.5): 37.90
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 39.99
ACD/KOC (pH 7.4): 466.52
Polar Surface Area: 30 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 198.3±3.0 cm3

Click to predict properties on the Chemicalize site


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