6,8-dichloro-4-hydrazinylquinoline hydrochloride

• ChemBase ID: 805263
• Molecular Formular: C9H8Cl3N3
• Molecular Mass: 264.53892
• Monoisotopic Mass: 262.97838031
• SMILES: Cl.c1c(c2c(cc1Cl)c(ccn2)NN)Cl
• Canonical SMILES: NNc1ccnc2c1cc(Cl)cc2Cl.Cl
• InChI: InChI=1S/C9H7Cl2N3.ClH/c10-5-3-6-8(14-12)1-2-13-9(6)7(11)4-5;/h1-4H,12H2,(H,13,14);1H
• InChIKey: LOVCIEPUXBWCNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,8-dichloro-4-hydrazinylquinoline hydrochloride
• IUPAC Traditional name: 6,8-dichloro-4-hydrazinylquinoline hydrochloride
• Synonyms: 6,8-DICHLORO-4-HYDRAZINOQUINOLINE HYDROCHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.4929097
• LogD (pH = 7.4): 2.726722
• Log P: 2.7306325
• Molar Refractivity: 59.2956 cm^3
• Polarizability: 23.254879 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%