7-bromo-2-methoxyquinoline

• ChemBase ID: 293127
• Molecular Formular: C10H8BrNO
• Molecular Mass: 238.08062
• Monoisotopic Mass: 236.97892588
• SMILES: COc1nc2cc(Br)ccc2cc1
• Canonical SMILES: COc1ccc2c(n1)cc(cc2)Br
• InChI: InChI=1S/C10H8BrNO/c1-13-10-5-3-7-2-4-8(11)6-9(7)12-10/h2-6H,1H3
• InChIKey: ARPAPTVOXJPIHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-2-methoxyquinoline
• IUPAC Traditional name: 7-bromo-2-methoxyquinoline
• Synonyms: 7-Bromo-2-methoxyquinoline

Database IDs

• CAS Number: 99455-08-0
• MDL Number: MFCD11877930
• PubChem SID: 180678658
• PubChem CID: 14220970

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3363883
• LogD (pH = 7.4): 3.3364387
• Log P: 3.3364394
• Molar Refractivity: 54.3788 cm^3
• Polarizability: 22.156397 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%