ChemSpider 2D Image | 5-Acetyl-2-methoxybenzyl 4-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzothiophene-2-carboxylate | C21H21FO5S

5-Acetyl-2-methoxybenzyl 4-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzothiophene-2-carboxylate

  • Molecular FormulaC21H21FO5S
  • Average mass404.452 Da
  • Monoisotopic mass404.109375 Da
  • ChemSpider ID110308462

More details:

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

4-Fluoro-3-(méthoxyméthyl)-2,3-dihydro-1-benzothiophène-2-carboxylate de 5-acétyl-2-méthoxybenzyle [French] [ACD/IUPAC Name]
5-Acetyl-2-methoxybenzyl 4-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzothiophene-2-carboxylate [ACD/IUPAC Name]
5-Acetyl-2-methoxybenzyl-4-fluor-3-(methoxymethyl)-2,3-dihydro-1-benzothiophen-2-carboxylat [German] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 4-fluoro-2,3-dihydro-3-(methoxymethyl)-, (5-acetyl-2-methoxyphenyl)methyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 505.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 259.7±30.1 °C
Index of Refraction: 1.571
Molar Refractivity: 105.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1441.03
ACD/KOC (pH 5.5): 6347.12
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1441.03
ACD/KOC (pH 7.4): 6347.12
Polar Surface Area: 87 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 320.0±3.0 cm3

Click to predict properties on the Chemicalize site


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