4-fluoroquinoline hydrochloride

• ChemBase ID: 64532
• Molecular Formular: C9H7ClFN
• Molecular Mass: 183.6099832
• Monoisotopic Mass: 183.02510513
• SMILES: c12c(ccnc1cccc2)F.Cl
• Canonical SMILES: Fc1ccnc2c1cccc2.Cl
• InChI: InChI=1S/C9H6FN.ClH/c10-8-5-6-11-9-4-2-1-3-7(8)9;/h1-6H;1H
• InChIKey: HRUOXWRXPDTOPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoroquinoline hydrochloride
• IUPAC Traditional name: 4-fluoroquinoline hydrochloride
• Synonyms: 4-Fluoroquinoline hydrochloride

Database IDs

• CAS Number: 1245643-64-4
• MDL Number: MFCD16249527
• PubChem SID: 162030271
• PubChem CID: 56924312

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2579422
• LogD (pH = 7.4): 2.2734013
• Log P: 2.2736025
• Molar Refractivity: 40.1957 cm^3
• Polarizability: 16.60185 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%