ChemSpider 2D Image | 2-[(7-Bromo-1,3-benzodioxol-5-yl)(hydroxy)methyl]-3-thiophenecarboxylic acid | C13H9BrO5S

2-[(7-Bromo-1,3-benzodioxol-5-yl)(hydroxy)methyl]-3-thiophenecarboxylic acid

  • Molecular FormulaC13H9BrO5S
  • Average mass357.177 Da
  • Monoisotopic mass355.935394 Da
  • ChemSpider ID55329517

More details:

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

2-[(7-Brom-1,3-benzodioxol-5-yl)(hydroxy)methyl]-3-thiophencarbonsäure [German] [ACD/IUPAC Name]
2-[(7-Bromo-1,3-benzodioxol-5-yl)(hydroxy)methyl]-3-thiophenecarboxylic acid [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-[(7-bromo-1,3-benzodioxol-5-yl)hydroxymethyl]- [ACD/Index Name]
Acide 2-[(7-bromo-1,3-benzodioxol-5-yl)(hydroxy)méthyl]-3-thiophènecarboxylique [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: 559.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 292.2±30.1 °C
Index of Refraction: 1.704
Molar Refractivity: 76.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 2.21
ACD/KOC (pH 5.5): 22.44
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 78.5±3.0 dyne/cm
Molar Volume: 196.5±3.0 cm3

Click to predict properties on the Chemicalize site


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