ChemSpider 2D Image | 4-Bromo-5-fluoro-2-methoxybenzoic acid | C8H6BrFO3

4-Bromo-5-fluoro-2-methoxybenzoic acid

  • Molecular FormulaC8H6BrFO3
  • Average mass249.034 Da
  • Monoisotopic mass247.948425 Da
  • ChemSpider ID35519717

More details:

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

4-Brom-5-fluor-2-methoxybenzoesäure [German] [ACD/IUPAC Name]
4-Bromo-5-fluoro-2-methoxybenzoic acid [ACD/IUPAC Name]
Acide 4-bromo-5-fluoro-2-méthoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-bromo-5-fluoro-2-methoxy- [ACD/Index Name]
1780187-45-2 [RN]
BS-16285
MFCD25459672

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

Density: 1.7±0.1 g/cm3
Boiling Point: 327.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 60.1±3.0 kJ/mol
Flash Point: 151.6±27.9 °C
Index of Refraction: 1.563
Molar Refractivity: 47.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 1.08
ACD/KOC (pH 5.5): 10.20
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 146.4±3.0 cm3

Click to predict properties on the Chemicalize site


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