8-bromo-4-hydrazinylquinoline hydrochloride

• ChemBase ID: 805332
• Molecular Formular: C9H9BrClN3
• Molecular Mass: 274.54486
• Monoisotopic Mass: 272.96683698
• SMILES: Cl.c1c(c2c(cc1)c(ccn2)NN)Br
• Canonical SMILES: NNc1ccnc2c1cccc2Br.Cl
• InChI: InChI=1S/C9H8BrN3.ClH/c10-7-3-1-2-6-8(13-11)4-5-12-9(6)7;/h1-5H,11H2,(H,12,13);1H
• InChIKey: CSRWWICHZACXQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromo-4-hydrazinylquinoline hydrochloride
• IUPAC Traditional name: 8-bromo-4-hydrazinylquinoline hydrochloride
• Synonyms: 8-BROMO-4-HYDRAZINOQUINOLINE HYDROCHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.9646597
• LogD (pH = 7.4): 2.2860918
• Log P: 2.2912958
• Molar Refractivity: 57.3088 cm^3
• Polarizability: 22.200537 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%