8-bromo-2-(bromomethyl)quinoline

• ChemBase ID: 814570
• Molecular Formular: C10H7Br2N
• Molecular Mass: 300.97728
• Monoisotopic Mass: 298.89452323
• SMILES: c1c(c2c(cc1)ccc(n2)CBr)Br
• Canonical SMILES: BrCc1ccc2c(n1)c(Br)ccc2
• InChI: InChI=1S/C10H7Br2N/c11-6-8-5-4-7-2-1-3-9(12)10(7)13-8/h1-5H,6H2
• InChIKey: NNNBSPYJQKHCQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromo-2-(bromomethyl)quinoline
• IUPAC Traditional name: 8-bromo-2-(bromomethyl)quinoline
• Synonyms: 8-bromo-2-(bromomethyl)quinoline

Database IDs

• CAS Number: 847861-97-6

CALCULATED PROPERTIES

• H Donor: 0
• LogD (pH = 5.5): 3.753559
• LogD (pH = 7.4): 3.7538586
• Log P: 3.7538624
• Molar Refractivity: 59.9303 cm^3
• Polarizability: 24.260214 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1

PROPERTIES

Product Information

• Purity: 98%