ChemSpider 2D Image | (3,5,6-Trimethyl-2-pyrazinyl)methyl 4-bromobenzoate | C15H15BrN2O2

(3,5,6-Trimethyl-2-pyrazinyl)methyl 4-bromobenzoate

  • Molecular FormulaC15H15BrN2O2
  • Average mass335.196 Da
  • Monoisotopic mass334.031677 Da
  • ChemSpider ID23158314

More details:

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

(3,5,6-Trimethyl-2-pyrazinyl)methyl 4-bromobenzoate [ACD/IUPAC Name]
(3,5,6-Trimethyl-2-pyrazinyl)methyl-4-brombenzoat [German] [ACD/IUPAC Name]
(3,5,6-trimethylpyrazin-2-yl)methyl 4-bromobenzoate
4-Bromobenzoate de (3,5,6-triméthyl-2-pyrazinyl)méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-bromo-, (3,5,6-trimethyl-2-pyrazinyl)methyl ester [ACD/Index Name]
4-Bromo-benzoic acid 3,5,6-trimethyl-pyrazin-2-ylmethyl ester

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

Density: 1.4±0.1 g/cm3
Boiling Point: 430.6±40.0 °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: 214.2±27.3 °C
Index of Refraction: 1.590
Molar Refractivity: 80.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 961.17
ACD/KOC (pH 5.5): 4749.69
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 961.36
ACD/KOC (pH 7.4): 4750.62
Polar Surface Area: 52 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 239.5±3.0 cm3

Click to predict properties on the Chemicalize site


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