ChemSpider 2D Image | (3,5,6-Trimethyl-2-pyrazinyl)methyl 4-chlorobenzoate | C15H15ClN2O2

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

  • Molecular FormulaC15H15ClN2O2
  • Average mass290.745 Da
  • Monoisotopic mass290.082214 Da
  • ChemSpider ID23158298

More details:

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

(3,5,6-Trimethyl-2-pyrazinyl)methyl 4-chlorobenzoate [ACD/IUPAC Name]
(3,5,6-Trimethyl-2-pyrazinyl)methyl-4-chlorbenzoat [German] [ACD/IUPAC Name]
(3,5,6-trimethylpyrazin-2-yl)methyl 4-chlorobenzoate
4-Chlorobenzoate de (3,5,6-triméthyl-2-pyrazinyl)méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-chloro-, (3,5,6-trimethyl-2-pyrazinyl)methyl ester [ACD/Index Name]
4-Chloro-benzoic acid 3,5,6-trimethyl-pyrazin-2-ylmethyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL304779/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 398.5±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 194.8±26.5 °C
Index of Refraction: 1.578
Molar Refractivity: 78.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 772.20
ACD/KOC (pH 5.5): 4060.80
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 772.35
ACD/KOC (pH 7.4): 4061.60
Polar Surface Area: 52 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 235.3±3.0 cm3

Click to predict properties on the Chemicalize site


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