2,4-dichloro-6-methylquinoline

• ChemBase ID: 294137
• Molecular Formular: C10H7Cl2N
• Molecular Mass: 212.07528
• Monoisotopic Mass: 210.99555459
• SMILES: Cc1ccc2nc(Cl)cc(Cl)c2c1
• Canonical SMILES: Cc1ccc2c(c1)c(Cl)cc(n2)Cl
• InChI: InChI=1S/C10H7Cl2N/c1-6-2-3-9-7(4-6)8(11)5-10(12)13-9/h2-5H,1H3
• InChIKey: GLYIJJUSFYXLNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 102878-18-2
• PubChem SID: 180679668
• PubChem CID: 2754668

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.072588
• LogD (pH = 7.4): 4.0725884
• Log P: 4.0725884
• Molar Refractivity: 55.6914 cm^3
• Polarizability: 22.503384 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%