Found 480 results

Search term: MF = 'C_{9}H_{6}BrF_{3}O_{3}'
ChemSpider 2D Image | 3-Bromo-4-(2,2,2-trifluoroethoxy)benzoic acid | C9H6BrF3O3

3-Bromo-4-(2,2,2-trifluoroethoxy)benzoic acid

  • Molecular FormulaC9H6BrF3O3
  • Average mass299.041 Da
  • Monoisotopic mass297.945221 Da
  • ChemSpider ID23960249

More details:

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

3-Brom-4-(2,2,2-trifluorethoxy)benzoesäure [German] [ACD/IUPAC Name]
3-Bromo-4-(2,2,2-trifluoroethoxy)benzoic acid [ACD/IUPAC Name]
Acide 3-bromo-4-(2,2,2-trifluoroéthoxy)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-bromo-4-(2,2,2-trifluoroethoxy)- [ACD/Index Name]
1131594-46-1 [RN]
3-Bromo-4-(2,2,2-trifluoroethoxy)benzoicacid
MFCD11110913 [MDL number]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 318.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.1±3.0 kJ/mol
Flash Point: 146.3±27.9 °C
Index of Refraction: 1.513
Molar Refractivity: 52.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 4.86
ACD/KOC (pH 5.5): 37.56
ACD/LogD (pH 7.4): 0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.56
Polar Surface Area: 47 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 175.0±3.0 cm3

Click to predict properties on the Chemicalize site


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