2,4-dichloro-6-methoxyquinoline

• ChemBase ID: 293697
• Molecular Formular: C10H7Cl2NO
• Molecular Mass: 228.07468
• Monoisotopic Mass: 226.99046921
• SMILES: COc1ccc2nc(Cl)cc(Cl)c2c1
• Canonical SMILES: COc1ccc2c(c1)c(Cl)cc(n2)Cl
• InChI: InChI=1S/C10H7Cl2NO/c1-14-6-2-3-9-7(4-6)8(11)5-10(12)13-9/h2-5H,1H3
• InChIKey: FUAYQQYYACASFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-6-methoxyquinoline
• IUPAC Traditional name: 2,4-dichloro-6-methoxyquinoline
• Synonyms: 2,4-Dichloro-6-methoxyquinoline

Database IDs

• CAS Number: 70049-46-6
• PubChem SID: 180679228
• PubChem CID: 948356

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4014952
• LogD (pH = 7.4): 3.4014957
• Log P: 3.4014957
• Molar Refractivity: 57.1134 cm^3
• Polarizability: 23.260445 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%