7-bromo-2-methylquinoline

• ChemBase ID: 805301
• Molecular Formular: C10H8BrN
• Molecular Mass: 222.08122
• Monoisotopic Mass: 220.98401126
• SMILES: c1(cc2c(cc1)ccc(n2)C)Br
• Canonical SMILES: Brc1ccc2c(c1)nc(cc2)C
• InChI: InChI=1S/C10H8BrN/c1-7-2-3-8-4-5-9(11)6-10(8)12-7/h2-6H,1H3
• InChIKey: VEKOCCXFMXGRTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-2-methylquinoline
• IUPAC Traditional name: 7-bromo-2-methylquinoline
• Synonyms: 7-BROMO-2-METHYLQUINOLINE

Database IDs

• CAS Number: 4965-34-8

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0006416
• LogD (pH = 7.4): 3.0306268
• Log P: 3.0310233
• Molar Refractivity: 52.1936 cm^3
• Polarizability: 21.36753 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%