8-bromo-7-fluoro-2-methoxyquinoline

• ChemBase ID: 288656
• Molecular Formular: C10H7BrFNO
• Molecular Mass: 256.0710832
• Monoisotopic Mass: 254.96950407
• SMILES: COc1nc2c(Br)c(F)ccc2cc1
• Canonical SMILES: COc1ccc2c(n1)c(Br)c(cc2)F
• InChI: InChI=1S/C10H7BrFNO/c1-14-8-5-3-6-2-4-7(12)9(11)10(6)13-8/h2-5H,1H3
• InChIKey: FWTZSTQAEXMYTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromo-7-fluoro-2-methoxyquinoline
• IUPAC Traditional name: 8-bromo-7-fluoro-2-methoxyquinoline
• Synonyms: 8-Bromo-7-fluoro-2-methoxyquinoline

Database IDs

• CAS Number: 1001322-87-7
• PubChem SID: 180674187
• PubChem CID: 57345836

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4791362
• LogD (pH = 7.4): 3.4791412
• Log P: 3.4791412
• Molar Refractivity: 54.5952 cm^3
• Polarizability: 21.943659 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%