ChemSpider 2D Image | 4-Bromo-2-[(2,2,2-trifluoroethyl)sulfonyl]benzoic acid | C9H6BrF3O4S

4-Bromo-2-[(2,2,2-trifluoroethyl)sulfonyl]benzoic acid

  • Molecular FormulaC9H6BrF3O4S
  • Average mass347.106 Da
  • Monoisotopic mass345.912231 Da
  • ChemSpider ID41175673

More details:

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

4-Brom-2-[(2,2,2-trifluorethyl)sulfonyl]benzoesäure [German] [ACD/IUPAC Name]
4-Bromo-2-[(2,2,2-trifluoroethyl)sulfonyl]benzoic acid [ACD/IUPAC Name]
Acide 4-bromo-2-[(2,2,2-trifluoroéthyl)sulfonyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-bromo-2-[(2,2,2-trifluoroethyl)sulfonyl]- [ACD/Index 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: 452.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 227.6±28.7 °C
Index of Refraction: 1.526
Molar Refractivity: 59.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.97
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 192.8±3.0 cm3

Click to predict properties on the Chemicalize site


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