8-fluoroquinoline hydrochloride

• ChemBase ID: 293232
• Molecular Formular: C9H7ClFN
• Molecular Mass: 183.6099832
• Monoisotopic Mass: 183.02510513
• SMILES: Fc1c2ncccc2ccc1.Cl
• Canonical SMILES: Fc1cccc2c1nccc2.Cl
• InChI: InChI=1S/C9H6FN.ClH/c10-8-5-1-3-7-4-2-6-11-9(7)8;/h1-6H;1H
• InChIKey: OLMMLDGKOACPHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-fluoroquinoline hydrochloride
• IUPAC Traditional name: 8-fluoroquinoline hydrochloride
• Synonyms: 8-Fluoroquinoline hydrochloride

Database IDs

• CAS Number: 311346-65-3
• MDL Number: MFCD15143626
• PubChem SID: 180678763
• PubChem CID: 53217381

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2734873
• LogD (pH = 7.4): 2.273601
• Log P: 2.2736025
• Molar Refractivity: 40.1957 cm^3
• Polarizability: 16.605154 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%