2-(tert-butoxy)-5-chloropyrazine

• ChemBase ID: 804857
• Molecular Formular: C8H11ClN2O
• Molecular Mass: 186.63874
• Monoisotopic Mass: 186.05599066
• SMILES: c1c(ncc(n1)Cl)OC(C)(C)C
• Canonical SMILES: CC(Oc1ncc(nc1)Cl)(C)C
• InChI: InChI=1S/C8H11ClN2O/c1-8(2,3)12-7-5-10-6(9)4-11-7/h4-5H,1-3H3
• InChIKey: YPMVSPBMJNCRSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(tert-butoxy)-5-chloropyrazine
• IUPAC Traditional name: 2-(tert-butoxy)-5-chloropyrazine
• Synonyms: 2-(TERT-BUTOXY)-5-CHLOROPYRAZINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8528687
• LogD (pH = 7.4): 1.8528687
• Log P: 1.8528687
• Molar Refractivity: 48.1926 cm^3
• Polarizability: 18.556686 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%