2,4-dichloro-8-methoxyquinoline

• ChemBase ID: 294603
• Molecular Formular: C10H7Cl2NO
• Molecular Mass: 228.07468
• Monoisotopic Mass: 226.99046921
• SMILES: COc1c2nc(Cl)cc(Cl)c2ccc1
• Canonical SMILES: COc1cccc2c1nc(Cl)cc2Cl
• InChI: InChI=1S/C10H7Cl2NO/c1-14-8-4-2-3-6-7(11)5-9(12)13-10(6)8/h2-5H,1H3
• InChIKey: YQPQBGCONUUZNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-8-methoxyquinoline
• IUPAC Traditional name: 2,4-dichloro-8-methoxyquinoline
• Synonyms: 2,4-Dichloro-8-methoxyquinoline

Database IDs

• CAS Number: 32608-29-0
• MDL Number: MFCD07644554
• PubChem SID: 180680134
• PubChem CID: 28286217

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4014957
• LogD (pH = 7.4): 3.4014957
• Log P: 3.4014957
• Molar Refractivity: 57.1134 cm^3
• Polarizability: 23.265228 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%