ChemSpider 2D Image | 5-Bromo-2-[(~2~H_3_)methyloxy]benzoic acid | C8H4D3BrO3

5-Bromo-2-[(2H3)methyloxy]benzoic acid

  • Molecular FormulaC8H4D3BrO3
  • Average mass234.062 Da
  • Monoisotopic mass232.976685 Da
  • ChemSpider ID110991609

  • Non-standard isotope - Non-standard isotope

More details:

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

5-Brom-2-[(2H3)methyloxy]benzoesäure [German] [ACD/IUPAC Name]
5-Bromo-2-[(2H3)methyloxy]benzoic acid [ACD/IUPAC Name]
Acide 5-bromo-2-[(2H3)méthyloxy]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-bromo-2-(methyl-d3-oxy)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 334.7±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.0±3.0 kJ/mol
Flash Point: 156.2±23.7 °C
Index of Refraction: 1.584
Molar Refractivity: 47.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.88
ACD/LogD (pH 7.4): -0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 142.1±3.0 cm3

Click to predict properties on the Chemicalize site


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