Found 480 results

Search term: MF = 'C_{9}H_{6}BrF_{3}O_{3}'
ChemSpider 2D Image | Methyl 2-bromo-3-(trifluoromethoxy)benzoate | C9H6BrF3O3

Methyl 2-bromo-3-(trifluoromethoxy)benzoate

  • Molecular FormulaC9H6BrF3O3
  • Average mass299.041 Da
  • Monoisotopic mass297.945221 Da
  • ChemSpider ID26469806

More details:

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

1159512-47-6 [RN]
2-Bromo-3-(trifluorométhoxy)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-bromo-3-(trifluoromethoxy)-, methyl ester [ACD/Index Name]
Methyl 2-bromo-3-(trifluoromethoxy)benzoate [ACD/IUPAC Name]
Methyl-2-brom-3-(trifluormethoxy)benzoat [German] [ACD/IUPAC Name]
MFCD12026458 [MDL number]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 250.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.7±3.0 kJ/mol
Flash Point: 105.1±25.9 °C
Index of Refraction: 1.487
Molar Refractivity: 52.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 212.96
ACD/KOC (pH 5.5): 1615.14
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 212.96
ACD/KOC (pH 7.4): 1615.14
Polar Surface Area: 36 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 33.6±3.0 dyne/cm
Molar Volume: 183.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement