ChemSpider 2D Image | Methyl 4-acetamido-5-bromo-2-thiophenecarboxylate | C8H8BrNO3S

Methyl 4-acetamido-5-bromo-2-thiophenecarboxylate

  • Molecular FormulaC8H8BrNO3S
  • Average mass278.123 Da
  • Monoisotopic mass276.940826 Da
  • ChemSpider ID28701664

More details:

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

2-Thiophenecarboxylic acid, 4-(acetylamino)-5-bromo-, methyl ester [ACD/Index Name]
4-Acétamido-5-bromo-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-acetamido-5-bromo-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-4-acetamido-5-brom-2-thiophencarboxylat [German] [ACD/IUPAC Name]
89499-31-0 [RN]
Methyl 4-acetamido-5-bromothiophene-2-carboxylate

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

Density: 1.7±0.1 g/cm3
Boiling Point: 424.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 210.7±28.7 °C
Index of Refraction: 1.620
Molar Refractivity: 58.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.47
ACD/KOC (pH 5.5): 247.17
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.47
ACD/KOC (pH 7.4): 247.17
Polar Surface Area: 84 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 166.1±3.0 cm3

Click to predict properties on the Chemicalize site


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