2-bromo-4-methylquinoline

• ChemBase ID: 310084
• Molecular Formular: C10H8BrN
• Molecular Mass: 222.08122
• Monoisotopic Mass: 220.98401126
• SMILES: n1c(cc(c2c1cccc2)C)Br
• Canonical SMILES: Brc1cc(C)c2c(n1)cccc2
• InChI: InChI=1S/C10H8BrN/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3
• InChIKey: KZACHCSEYVSCEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-4-methylquinoline
• IUPAC Traditional name: 2-bromo-4-methylquinoline
• Synonyms: 2-bromo-4-methylquinoline

Database IDs

• CAS Number: 64658-04-4
• MDL Number: MFCD08705663

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.618524
• LogD (pH = 7.4): 3.6185956
• Log P: 3.6185966
• Molar Refractivity: 53.4855 cm^3
• Polarizability: 21.423702 Å^3
• Polar Surface Area: 12.89 Å^2