ChemSpider 2D Image | 4-Bromo-3-(carboxymethoxy)-5-(3-hydroxyphenyl)-2-thiophenecarboxylic acid | C13H9BrO6S

4-Bromo-3-(carboxymethoxy)-5-(3-hydroxyphenyl)-2-thiophenecarboxylic acid

  • Molecular FormulaC13H9BrO6S
  • Average mass373.176 Da
  • Monoisotopic mass371.930298 Da
  • ChemSpider ID23275824

More details:

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

2-thiophenecarboxylic acid, 4-bromo-3-(carboxymethoxy)-5-(3-hydroxyphenyl)- [ACD/Index Name]
4-Brom-3-(carboxymethoxy)-5-(3-hydroxyphenyl)-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
4-Bromo-3-(carboxymethoxy)-5-(3-hydroxyphenyl)-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 4-bromo-3-(carboxyméthoxy)-5-(3-hydroxyphényl)-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
4-bromo-3-(carboxymethoxy)-5-(3-hydroxyphenyl)thiophene-2-carboxylic acid
4-bromo-3-carboxymethoxy-5-(3-hydroxyphenyl)thiophene-2-carboxylic acid
Monocyclic thiophene analog 19

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

Density: 1.8±0.1 g/cm3
Boiling Point: 596.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 314.4±30.1 °C
Index of Refraction: 1.686
Molar Refractivity: 78.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): -1.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 76.0±3.0 dyne/cm
Molar Volume: 206.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement