5-chloro-2,3-diphenylpyrazine

• ChemBase ID: 798874
• Molecular Formular: C16H11ClN2
• Molecular Mass: 266.72494
• Monoisotopic Mass: 266.06107604
• SMILES: c1(c(ncc(n1)Cl)c1ccccc1)c1ccccc1
• Canonical SMILES: Clc1cnc(c(n1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C16H11ClN2/c17-14-11-18-15(12-7-3-1-4-8-12)16(19-14)13-9-5-2-6-10-13/h1-11H
• InChIKey: VUGNCPVAXWZTOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2,3-diphenylpyrazine
• IUPAC Traditional name: 2,3-diphenyl-5-chloropyrazine
• Synonyms: 5-chloro-2,3-diphenylpyrazine

Database IDs

• CAS Number: 41270-66-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.428274
• LogD (pH = 7.4): 4.428274
• Log P: 4.428274
• Molar Refractivity: 77.1387 cm^3
• Polarizability: 32.507866 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%