7-fluoro-4-hydrazinylquinoline hydrochloride

• ChemBase ID: 805343
• Molecular Formular: C9H9ClFN3
• Molecular Mass: 213.6392632
• Monoisotopic Mass: 213.0469032
• SMILES: Cl.c1(cc2c(cc1)c(ccn2)NN)F
• Canonical SMILES: NNc1ccnc2c1ccc(c2)F.Cl
• InChI: InChI=1S/C9H8FN3.ClH/c10-6-1-2-7-8(13-11)3-4-12-9(7)5-6;/h1-5H,11H2,(H,12,13);1H
• InChIKey: PGLATNDHHSLNDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoro-4-hydrazinylquinoline hydrochloride
• IUPAC Traditional name: 7-fluoro-4-hydrazinylquinoline hydrochloride
• Synonyms: 7-FLUORO-4-HYDRAZINOQUINOLINE HYDROCHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0511388
• LogD (pH = 7.4): 1.6534885
• Log P: 1.665245
• Molar Refractivity: 49.9024 cm^3
• Polarizability: 19.143923 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%