6-bromo-2-(chloromethyl)quinoline

• ChemBase ID: 814347
• Molecular Formular: C10H7BrClN
• Molecular Mass: 256.52628
• Monoisotopic Mass: 254.94503891
• SMILES: c1cc2c(cc1Br)ccc(n2)CCl
• Canonical SMILES: ClCc1ccc2c(n1)ccc(c2)Br
• InChI: InChI=1S/C10H7BrClN/c11-8-2-4-10-7(5-8)1-3-9(6-12)13-10/h1-5H,6H2
• InChIKey: VIVAONIMZYUXBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-(chloromethyl)quinoline
• IUPAC Traditional name: 6-bromo-2-(chloromethyl)quinoline
• Synonyms: 6-bromo-2-(chloromethyl)quinoline

Database IDs

• CAS Number: 1056615-73-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5678198
• LogD (pH = 7.4): 3.56836
• Log P: 3.568367
• Molar Refractivity: 56.9468 cm^3
• Polarizability: 23.313385 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%