2-(4-bromophenoxy)pyrazine

• ChemBase ID: 273728
• Molecular Formular: C10H7BrN2O
• Molecular Mass: 251.07938
• Monoisotopic Mass: 249.97417485
• SMILES: c1(nccnc1)Oc1ccc(Br)cc1
• Canonical SMILES: Brc1ccc(cc1)Oc1cnccn1
• InChI: InChI=1S/C10H7BrN2O/c11-8-1-3-9(4-2-8)14-10-7-12-5-6-13-10/h1-7H
• InChIKey: PPVJMDSGHSAYII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-bromophenoxy)pyrazine
• IUPAC Traditional name: 2-(4-bromophenoxy)pyrazine
• Synonyms: 2-(4-bromophenoxy)pyrazine

Database IDs

• MDL Number: MFCD09929573
• PubChem SID: 164329638
• PubChem CID: 24691326

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4013968
• LogD (pH = 7.4): 2.4013982
• Log P: 2.4013982
• Molar Refractivity: 55.9213 cm^3
• Polarizability: 21.675522 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 61 - 63°C
• Hydrophobicity(logP): 2.649

Product Information

• Purity: 95%