4-chloro-7-methylquinoline

• ChemBase ID: 804987
• Molecular Formular: C10H8ClN
• Molecular Mass: 177.63022
• Monoisotopic Mass: 177.03452694
• SMILES: c1(cc2c(cc1)c(ccn2)Cl)C
• Canonical SMILES: Cc1ccc2c(c1)nccc2Cl
• InChI: InChI=1S/C10H8ClN/c1-7-2-3-8-9(11)4-5-12-10(8)6-7/h2-6H,1H3
• InChIKey: SLBWENCMEQRYEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-7-methylquinoline
• IUPAC Traditional name: 4-chloro-7-methylquinoline
• Synonyms: 4-CHLORO-7-METHYLQUINOLINE

Database IDs

• CAS Number: 63136-61-8

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2400124
• LogD (pH = 7.4): 3.2482603
• Log P: 3.2483666
• Molar Refractivity: 49.8253 cm^3
• Polarizability: 20.606462 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%