ChemSpider 2D Image | Butyl 5-bromo-2,4-dihydroxy-6-methylnicotinate | C11H14BrNO4

Butyl 5-bromo-2,4-dihydroxy-6-methylnicotinate

  • Molecular FormulaC11H14BrNO4
  • Average mass304.137 Da
  • Monoisotopic mass303.010620 Da
  • ChemSpider ID58543406

More details:

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

3-Pyridinecarboxylic acid, 5-bromo-2,4-dihydroxy-6-methyl-, butyl ester [ACD/Index Name]
5-Bromo-2,4-dihydroxy-6-méthylnicotinate de butyle [French] [ACD/IUPAC Name]
Butyl 5-bromo-2,4-dihydroxy-6-methylnicotinate [ACD/IUPAC Name]
Butyl-5-brom-2,4-dihydroxy-6-methylnicotinat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 442.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 221.4±27.3 °C
Index of Refraction: 1.579
Molar Refractivity: 66.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 199.4±3.0 cm3

Click to predict properties on the Chemicalize site


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