ChemSpider 2D Image | 6-[(3-Bromo-2-thienyl)methoxy]-1,3-benzodioxole-5-carboxylic acid | C13H9BrO5S

6-[(3-Bromo-2-thienyl)methoxy]-1,3-benzodioxole-5-carboxylic acid

  • Molecular FormulaC13H9BrO5S
  • Average mass357.177 Da
  • Monoisotopic mass355.935394 Da
  • ChemSpider ID39176597

More details:

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

1,3-Benzodioxole-5-carboxylic acid, 6-[(3-bromo-2-thienyl)methoxy]- [ACD/Index Name]
6-[(3-Brom-2-thienyl)methoxy]-1,3-benzodioxol-5-carbonsäure [German] [ACD/IUPAC Name]
6-[(3-Bromo-2-thienyl)methoxy]-1,3-benzodioxole-5-carboxylic acid [ACD/IUPAC Name]
Acide 6-[(3-bromo-2-thiényl)méthoxy]-1,3-benzodioxole-5-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 487.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 248.6±28.7 °C
Index of Refraction: 1.676
Molar Refractivity: 76.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 2.40
ACD/KOC (pH 5.5): 18.24
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.36
Polar Surface Area: 93 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 69.3±3.0 dyne/cm
Molar Volume: 203.5±3.0 cm3

Click to predict properties on the Chemicalize site


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