2-chloro-6-(4-chlorophenyl)pyrazine

• ChemBase ID: 797667
• Molecular Formular: C10H6Cl2N2
• Molecular Mass: 225.07404
• Monoisotopic Mass: 223.99080356
• SMILES: c1c(nc(cn1)c1ccc(cc1)Cl)Cl
• Canonical SMILES: Clc1ccc(cc1)c1cncc(n1)Cl
• InChI: InChI=1S/C10H6Cl2N2/c11-8-3-1-7(2-4-8)9-5-13-6-10(12)14-9/h1-6H
• InChIKey: IXNZYIPBGXYXFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(4-chlorophenyl)pyrazine
• IUPAC Traditional name: 2-chloro-6-(4-chlorophenyl)pyrazine
• Synonyms: 2-Chloro-6-(4-chlorophenyl)pyrazine

Database IDs

• CAS Number: 637353-09-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9992425
• LogD (pH = 7.4): 2.9992433
• Log P: 2.9992433
• Molar Refractivity: 57.1793 cm^3
• Polarizability: 23.294044 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%