ChemSpider 2D Image | 3-Bromo-5-methoxy-4-(3-methoxypropoxy)benzoic acid | C12H15BrO5

3-Bromo-5-methoxy-4-(3-methoxypropoxy)benzoic acid

  • Molecular FormulaC12H15BrO5
  • Average mass319.148 Da
  • Monoisotopic mass318.010284 Da
  • ChemSpider ID33256604

More details:

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

3-Brom-5-methoxy-4-(3-methoxypropoxy)benzoesäure [German] [ACD/IUPAC Name]
3-Bromo-5-methoxy-4-(3-methoxypropoxy)benzoic acid [ACD/IUPAC Name]
Acide 3-bromo-5-méthoxy-4-(3-méthoxypropoxy)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-bromo-5-methoxy-4-(3-methoxypropoxy)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 399.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 195.3±27.9 °C
Index of Refraction: 1.542
Molar Refractivity: 69.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 1.99
ACD/KOC (pH 5.5): 20.62
ACD/LogD (pH 7.4): -0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 65 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 222.0±3.0 cm3

Click to predict properties on the Chemicalize site


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