2-(chloromethyl)quinoline

• ChemBase ID: 815786
• Molecular Formular: C10H8ClN
• Molecular Mass: 177.63022
• Monoisotopic Mass: 177.03452694
• SMILES: c1cc2c(cc1)ccc(n2)CCl
• Canonical SMILES: ClCc1ccc2c(n1)cccc2
• InChI: InChI=1S/C10H8ClN/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H,7H2
• InChIKey: DDEAEWMDOSXKBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)quinoline
• IUPAC Traditional name: 2-(chloromethyl)quinoline
• Synonyms: 2-(CHLOROMETHYL)QUINOLINE

Database IDs

• CAS Number: 4377-41-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7950428
• LogD (pH = 7.4): 2.7995565
• Log P: 2.7996144
• Molar Refractivity: 49.324 cm^3
• Polarizability: 20.624895 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%