4,5-dichloro-2,8-dimethylquinoline

• ChemBase ID: 816028
• Molecular Formular: C11H9Cl2N
• Molecular Mass: 226.10186
• Monoisotopic Mass: 225.01120465
• SMILES: c1c(c2c(c(c1)Cl)c(cc(n2)C)Cl)C
• Canonical SMILES: Cc1cc(Cl)c2c(n1)c(C)ccc2Cl
• InChI: InChI=1S/C11H9Cl2N/c1-6-3-4-8(12)10-9(13)5-7(2)14-11(6)10/h3-5H,1-2H3
• InChIKey: CPOIUXDRGLGBNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dichloro-2,8-dimethylquinoline
• IUPAC Traditional name: 4,5-dichloro-2,8-dimethylquinoline
• Synonyms: 4,5-DICHLORO-2,8-DIMETHYLQUINOLINE

Database IDs

• CAS Number: 21629-52-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9799654
• LogD (pH = 7.4): 3.9837332
• Log P: 3.9837813
• Molar Refractivity: 59.2216 cm^3
• Polarizability: 24.21751 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%