6-bromo-3-(chloromethyl)quinoline

• ChemBase ID: 814362
• Molecular Formular: C10H7BrClN
• Molecular Mass: 256.52628
• Monoisotopic Mass: 254.94503891
• SMILES: c1cc2c(cc1Br)cc(cn2)CCl
• Canonical SMILES: ClCc1cnc2c(c1)cc(cc2)Br
• InChI: InChI=1S/C10H7BrClN/c11-9-1-2-10-8(4-9)3-7(5-12)6-13-10/h1-4,6H,5H2
• InChIKey: VKNPWMUQITXLJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-3-(chloromethyl)quinoline
• IUPAC Traditional name: 6-bromo-3-(chloromethyl)quinoline
• Synonyms: 6-bromo-3-(chloromethyl)quinoline

Database IDs

• CAS Number: 1196157-05-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4845293
• LogD (pH = 7.4): 3.4868653
• Log P: 3.486895
• Molar Refractivity: 57.469 cm^3
• Polarizability: 23.312191 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%