ChemSpider 2D Image | 3-(Methylamino)-3-oxopropyl 5-fluoro-1-benzofuran-2-carboxylate | C13H12FNO4

3-(Methylamino)-3-oxopropyl 5-fluoro-1-benzofuran-2-carboxylate

  • Molecular FormulaC13H12FNO4
  • Average mass265.237 Da
  • Monoisotopic mass265.075043 Da
  • ChemSpider ID35188065

More details:

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

2-Benzofurancarboxylic acid, 5-fluoro-, 3-(methylamino)-3-oxopropyl ester [ACD/Index Name]
3-(Methylamino)-3-oxopropyl 5-fluoro-1-benzofuran-2-carboxylate [ACD/IUPAC Name]
3-(Methylamino)-3-oxopropyl-5-fluor-1-benzofuran-2-carboxylat [German] [ACD/IUPAC Name]
5-Fluoro-1-benzofurane-2-carboxylate de 3-(méthylamino)-3-oxopropyle [French] [ACD/IUPAC Name]
2-(METHYLCARBAMOYL)ETHYL 5-FLUORO-1-BENZOFURAN-2-CARBOXYLATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 464.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 234.5±25.9 °C
Index of Refraction: 1.557
Molar Refractivity: 65.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.62
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.71
ACD/KOC (pH 5.5): 238.48
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.71
ACD/KOC (pH 7.4): 238.48
Polar Surface Area: 69 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 203.9±3.0 cm3

Click to predict properties on the Chemicalize site


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