ChemSpider 2D Image | 4-Bromo-2-cyano-5-(trifluoromethyl)benzoic acid | C9H3BrF3NO2

4-Bromo-2-cyano-5-(trifluoromethyl)benzoic acid

  • Molecular FormulaC9H3BrF3NO2
  • Average mass294.025 Da
  • Monoisotopic mass292.929932 Da
  • ChemSpider ID57362173

More details:

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

4-Brom-2-cyan-5-(trifluormethyl)benzoesäure [German] [ACD/IUPAC Name]
4-Bromo-2-cyano-5-(trifluoromethyl)benzoic acid [ACD/IUPAC Name]
Acide 4-bromo-2-cyano-5-(trifluorométhyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-bromo-2-cyano-5-(trifluoromethyl)- [ACD/Index Name]
1805499-98-2 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 348.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.5±3.0 kJ/mol
Flash Point: 164.3±27.9 °C
Index of Refraction: 1.558
Molar Refractivity: 50.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.09
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 61 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 155.9±5.0 cm3

Click to predict properties on the Chemicalize site


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