4-chloro-6-ethoxyquinoline

• ChemBase ID: 805200
• Molecular Formular: C11H10ClNO
• Molecular Mass: 207.6562
• Monoisotopic Mass: 207.04509163
• SMILES: c1cc2c(cc1OCC)c(ccn2)Cl
• Canonical SMILES: CCOc1ccc2c(c1)c(Cl)ccn2
• InChI: InChI=1S/C11H10ClNO/c1-2-14-8-3-4-11-9(7-8)10(12)5-6-13-11/h3-7H,2H2,1H3
• InChIKey: UMAFNRLXFGANJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6-ethoxyquinoline
• IUPAC Traditional name: 4-chloro-6-ethoxyquinoline
• Synonyms: 4-CHLORO-6-ETHOXY-QUINOLINE

Database IDs

• CAS Number: 103862-63-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9297385
• LogD (pH = 7.4): 2.934027
• Log P: 2.9340818
• Molar Refractivity: 55.9959 cm^3
• Polarizability: 23.175623 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%