ChemSpider 2D Image | (3,5,6-Trimethyl-2-pyrazinyl)methyl 2-iodobenzoate | C15H15IN2O2

(3,5,6-Trimethyl-2-pyrazinyl)methyl 2-iodobenzoate

  • Molecular FormulaC15H15IN2O2
  • Average mass382.196 Da
  • Monoisotopic mass382.017822 Da
  • ChemSpider ID23158558

More details:

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

(3,5,6-Trimethyl-2-pyrazinyl)methyl 2-iodobenzoate [ACD/IUPAC Name]
(3,5,6-Trimethyl-2-pyrazinyl)methyl-2-iodbenzoat [German] [ACD/IUPAC Name]
(3,5,6-trimethylpyrazin-2-yl)methyl 2-iodobenzoate
2-Iodobenzoate de (3,5,6-triméthyl-2-pyrazinyl)méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-iodo-, (3,5,6-trimethyl-2-pyrazinyl)methyl ester [ACD/Index Name]
2-Iodo-benzoic acid 3,5,6-trimethyl-pyrazin-2-ylmethyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL305397/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 427.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.3±3.0 kJ/mol
Flash Point: 212.5±27.3 °C
Index of Refraction: 1.619
Molar Refractivity: 86.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 685.69
ACD/KOC (pH 5.5): 3729.74
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 685.83
ACD/KOC (pH 7.4): 3730.47
Polar Surface Area: 52 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 245.4±3.0 cm3

Click to predict properties on the Chemicalize site


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