6-chloro-4-hydrazinylquinoline

• ChemBase ID: 806627
• Molecular Formular: C9H8ClN3
• Molecular Mass: 193.63292
• Monoisotopic Mass: 193.04067495
• SMILES: c1cc2c(cc1Cl)c(ccn2)NN
• Canonical SMILES: NNc1ccnc2c1cc(Cl)cc2
• InChI: InChI=1S/C9H8ClN3/c10-6-1-2-8-7(5-6)9(13-11)3-4-12-8/h1-5H,11H2,(H,12,13)
• InChIKey: ZFGQCTXYMNTVEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-4-hydrazinylquinoline
• IUPAC Traditional name: 6-chloro-4-hydrazinylquinoline
• Synonyms: 6-CHLORO-4-HYDRAZINOQUINOLINE

Database IDs

• CAS Number: 68500-31-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.6921567
• LogD (pH = 7.4): 2.1194324
• Log P: 2.1265879
• Molar Refractivity: 54.4908 cm^3
• Polarizability: 21.361683 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%