ChemSpider 2D Image | Ethyl 2-acetamido-7-[(2-chloro-6-fluorobenzyl)oxy]-6-methyl-1-benzothiophene-3-carboxylate | C21H19ClFNO4S

Ethyl 2-acetamido-7-[(2-chloro-6-fluorobenzyl)oxy]-6-methyl-1-benzothiophene-3-carboxylate

  • Molecular FormulaC21H19ClFNO4S
  • Average mass435.896 Da
  • Monoisotopic mass435.070740 Da
  • ChemSpider ID23025401

More details:

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

2-Acétamido-7-[(2-chloro-6-fluorobenzyl)oxy]-6-méthyl-1-benzothiophène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 2-(acetylamino)-7-[(2-chloro-6-fluorophenyl)methoxy]-6-methyl-, ethyl ester [ACD/Index Name]
Ethyl 2-acetamido-7-[(2-chloro-6-fluorobenzyl)oxy]-6-methyl-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-acetamido-7-[(2-chlor-6-fluorbenzyl)oxy]-6-methyl-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]
ethyl 2-(acetylamino)-7-[(2-chloro-6-fluorobenzyl)oxy]-6-methyl-1-benzothiophene-3-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 617.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.5±31.5 °C
Index of Refraction: 1.637
Molar Refractivity: 114.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.25
ACD/LogD (pH 5.5): 5.85
ACD/BCF (pH 5.5): 16497.87
ACD/KOC (pH 5.5): 36343.10
ACD/LogD (pH 7.4): 5.85
ACD/BCF (pH 7.4): 16497.85
ACD/KOC (pH 7.4): 36343.06
Polar Surface Area: 93 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 317.6±3.0 cm3

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