2-(bromomethyl)quinoline hydrobromide

• ChemBase ID: 292775
• Molecular Formular: C10H9Br2N
• Molecular Mass: 302.99316
• Monoisotopic Mass: 300.91017329
• SMILES: Br.BrCc1nc2c(cccc2)cc1
• Canonical SMILES: BrCc1ccc2c(n1)cccc2.Br
• InChI: InChI=1S/C10H8BrN.BrH/c11-7-9-6-5-8-3-1-2-4-10(8)12-9;/h1-6H,7H2;1H
• InChIKey: RMCAMMGJTSBUMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(bromomethyl)quinoline hydrobromide
• IUPAC Traditional name: 2-(bromomethyl)quinoline hydrobromide
• Synonyms: 2-(Bromomethyl)quinoline hydrobromide

Database IDs

• CAS Number: 213337-42-9
• PubChem SID: 180678306
• PubChem CID: 66930346

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.978979
• LogD (pH = 7.4): 2.985032
• Log P: 2.9851098
• Molar Refractivity: 52.3075 cm^3
• Polarizability: 21.34645 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%