2-(3-bromophenoxy)-6-methylpyrazine

• ChemBase ID: 75913
• Molecular Formular: C11H9BrN2O
• Molecular Mass: 265.10596
• Monoisotopic Mass: 263.98982492
• SMILES: n1cc(nc(c1)C)Oc1cccc(c1)Br
• Canonical SMILES: Brc1cccc(c1)Oc1cncc(n1)C
• InChI: InChI=1S/C11H9BrN2O/c1-8-6-13-7-11(14-8)15-10-4-2-3-9(12)5-10/h2-7H,1H3
• InChIKey: BCQSIIIFPGJDPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-bromophenoxy)-6-methylpyrazine
• IUPAC Traditional name: 2-(3-bromophenoxy)-6-methylpyrazine
• Synonyms: 2-(3-bromophenoxy)-6-methylpyrazine; 2-(3-Bromophenoxy)-6-methylpyrazine 97%

Database IDs

• CAS Number: 915707-60-7
• MDL Number: MFCD09702405
• PubChem SID: 162040831
• PubChem CID: 24229680

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5327666
• LogD (pH = 7.4): 2.5327685
• Log P: 2.5327685
• Molar Refractivity: 60.5128 cm^3
• Polarizability: 23.423035 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 38-39.5°C

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 97%