2,7-dichloro-3-methylquinoline

• ChemBase ID: 805146
• Molecular Formular: C10H7Cl2N
• Molecular Mass: 212.07528
• Monoisotopic Mass: 210.99555459
• SMILES: c1(cc2c(cc1)cc(c(n2)Cl)C)Cl
• Canonical SMILES: Clc1ccc2c(c1)nc(c(c2)C)Cl
• InChI: InChI=1S/C10H7Cl2N/c1-6-4-7-2-3-8(11)5-9(7)13-10(6)12/h2-5H,1H3
• InChIKey: QYWWVQLUBNPSGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-dichloro-3-methylquinoline
• IUPAC Traditional name: 2,7-dichloro-3-methylquinoline
• Synonyms: 2,7-DICHLORO-3-METHYLQUINOLINE

Database IDs

• CAS Number: 132118-46-8

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.0725865
• LogD (pH = 7.4): 4.0725884
• Log P: 4.0725884
• Molar Refractivity: 55.6914 cm^3
• Polarizability: 22.489965 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%