ChemSpider 2D Image | Ethyl 4-[3-(1-azetidinylmethyl)benzoyl]benzoate | C20H21NO3

Ethyl 4-[3-(1-azetidinylmethyl)benzoyl]benzoate

  • Molecular FormulaC20H21NO3
  • Average mass323.386 Da
  • Monoisotopic mass323.152130 Da
  • ChemSpider ID21399567

More details:

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

4-[3-(1-Azétidinylméthyl)benzoyl]benzoate d'éthyle [French] [ACD/IUPAC Name]
898771-51-2 [RN]
Benzoic acid, 4-[3-(1-azetidinylmethyl)benzoyl]-, ethyl ester [ACD/Index Name]
Ethyl 4-(3-(azetidin-1-ylmethyl)benzoyl)benzoate
Ethyl 4-[3-(1-azetidinylmethyl)benzoyl]benzoate [ACD/IUPAC Name]
Ethyl-4-[3-(1-azetidinylmethyl)benzoyl]benzoat [German] [ACD/IUPAC Name]
3-AZETIDIN-1-YLMETHYL-4'-CARBOETHOXYBENZOPHENONE
3-azetidinomethyl-4'-carboethoxybenzophenone
3-azetidinomethyl-4-carboethoxybenzophenone
ethyl 4-[3-(azetidin-1-ylmethyl)benzoyl]benzoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 470.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.3±3.0 kJ/mol
Flash Point: 238.6±25.9 °C
Index of Refraction: 1.595
Molar Refractivity: 92.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.12
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 43.00
ACD/KOC (pH 7.4): 310.61
Polar Surface Area: 47 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 272.9±3.0 cm3

Click to predict properties on the Chemicalize site


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