Found 41 results

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

Methyl 5-bromo-3-hydroxy-2-thiophenecarboxylate

  • Molecular FormulaC6H5BrO3S
  • Average mass237.071 Da
  • Monoisotopic mass235.914276 Da
  • ChemSpider ID57377679

More details:

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

2-Thiophenecarboxylic acid, 5-bromo-3-hydroxy-, methyl ester [ACD/Index Name]
5-Bromo-3-hydroxy-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-bromo-3-hydroxy-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-5-brom-3-hydroxy-2-thiophencarboxylat [German] [ACD/IUPAC Name]
130228-59-0 [RN]
Methyl 5-bromo-3-hydroxythiophene-2-carboxylate
MFCD20488754

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

Density: 1.8±0.1 g/cm3
Boiling Point: 275.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.4±3.0 kJ/mol
Flash Point: 120.2±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: 2.97
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 125.48
ACD/KOC (pH 5.5): 1105.75
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 116.54
ACD/KOC (pH 7.4): 1026.98
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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