5,7-dibromo-8-methoxyquinoline

• ChemBase ID: 291411
• Molecular Formular: C10H7Br2NO
• Molecular Mass: 316.97668
• Monoisotopic Mass: 314.88943785
• SMILES: COc1c2ncccc2c(Br)cc1Br
• Canonical SMILES: COc1c(Br)cc(c2c1nccc2)Br
• InChI: InChI=1S/C10H7Br2NO/c1-14-10-8(12)5-7(11)6-3-2-4-13-9(6)10/h2-5H,1H3
• InChIKey: IJANXCJVULGZRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dibromo-8-methoxyquinoline
• IUPAC Traditional name: 5,7-dibromo-8-methoxyquinoline
• Synonyms: 5,7-Dibromo-8-methoxyquinoline

Database IDs

• CAS Number: 17012-49-6
• MDL Number: MFCD11504924
• PubChem SID: 180676942
• PubChem CID: 10805403

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5107043
• LogD (pH = 7.4): 3.510734
• Log P: 3.5107346
• Molar Refractivity: 61.6881 cm^3
• Polarizability: 25.11581 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%