4,7-dichloro-2,8-dimethylquinoline

• ChemBase ID: 293574
• Molecular Formular: C11H9Cl2N
• Molecular Mass: 226.10186
• Monoisotopic Mass: 225.01120465
• SMILES: Cc1c2nc(C)cc(Cl)c2ccc1Cl
• Canonical SMILES: Cc1cc(Cl)c2c(n1)c(C)c(cc2)Cl
• InChI: InChI=1S/C11H9Cl2N/c1-6-5-10(13)8-3-4-9(12)7(2)11(8)14-6/h3-5H,1-2H3
• InChIKey: FGFQQASKLBXKQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,7-dichloro-2,8-dimethylquinoline
• IUPAC Traditional name: 4,7-dichloro-2,8-dimethylquinoline
• Synonyms: 4,7-Dichloro-2,8-dimethylquinoline

Database IDs

• CAS Number: 21728-15-4
• MDL Number: MFCD00272342
• PubChem SID: 180679105
• PubChem CID: 227602

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9813936
• LogD (pH = 7.4): 3.9837513
• Log P: 3.9837813
• Molar Refractivity: 59.2216 cm^3
• Polarizability: 24.205303 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%