Found 41 results

Search term: MF = 'C_{6}H_{5}BrO_{3}S'
ChemSpider 2D Image | Methyl 5-bromo-4-hydroxy-3-thiophenecarboxylate | C6H5BrO3S

Methyl 5-bromo-4-hydroxy-3-thiophenecarboxylate

  • Molecular FormulaC6H5BrO3S
  • Average mass237.071 Da
  • Monoisotopic mass235.914276 Da
  • ChemSpider ID37651012

More details:

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

3-Thiophenecarboxylic acid, 5-bromo-4-hydroxy-, methyl ester [ACD/Index Name]
5-Bromo-4-hydroxy-3-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-bromo-4-hydroxy-3-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-5-brom-4-hydroxy-3-thiophencarboxylat [German] [ACD/IUPAC Name]
91476-66-3 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 237.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.4±3.0 kJ/mol
Flash Point: 97.6±25.9 °C
Index of Refraction: 1.617
Molar Refractivity: 46.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 72.45
ACD/KOC (pH 5.5): 745.71
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 56.24
ACD/KOC (pH 7.4): 578.84
Polar Surface Area: 75 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 131.4±3.0 cm3

Click to predict properties on the Chemicalize site


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