8-bromo-2-methoxyquinoline

• ChemBase ID: 247393
• Molecular Formular: C10H8BrNO
• Molecular Mass: 238.08062
• Monoisotopic Mass: 236.97892588
• SMILES: n1c2c(Br)cccc2ccc1OC
• Canonical SMILES: COc1ccc2c(n1)c(Br)ccc2
• InChI: InChI=1S/C10H8BrNO/c1-13-9-6-5-7-3-2-4-8(11)10(7)12-9/h2-6H,1H3
• InChIKey: FRNJXLVFMHQRIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromo-2-methoxyquinoline
• IUPAC Traditional name: 8-bromo-2-methoxyquinoline
• Synonyms: 8-bromo-2-methoxyquinoline

Database IDs

• MDL Number: MFCD11877931
• PubChem SID: 164303303
• PubChem CID: 14978014

CALCULATED PROPERTIES

• Polarizability: 22.164644 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3364248
• LogD (pH = 7.4): 3.3364391
• Log P: 3.3364394
• Molar Refractivity: 54.3788 cm^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.734

Product Information

• Purity: 95%