2-chloro-6-phenoxypyrazine

• ChemBase ID: 816120
• Molecular Formular: C10H7ClN2O
• Molecular Mass: 206.62838
• Monoisotopic Mass: 206.02469053
• SMILES: c1c(nc(cn1)Oc1ccccc1)Cl
• Canonical SMILES: Clc1cncc(n1)Oc1ccccc1
• InChI: InChI=1S/C10H7ClN2O/c11-9-6-12-7-10(13-9)14-8-4-2-1-3-5-8/h1-7H
• InChIKey: BXNWVXLGFGUJOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-phenoxypyrazine
• IUPAC Traditional name: 2-chloro-6-phenoxypyrazine
• Synonyms: 2-CHLORO-6-PHENOXYPYRAZINE

Database IDs

• CAS Number: 64383-29-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4568672
• LogD (pH = 7.4): 2.4568675
• Log P: 2.4568675
• Molar Refractivity: 54.1646 cm^3
• Polarizability: 20.827286 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%