6-(bromomethyl)-2-chloroquinoline

• ChemBase ID: 815639
• Molecular Formular: C10H7BrClN
• Molecular Mass: 256.52628
• Monoisotopic Mass: 254.94503891
• SMILES: c1cc2c(cc1CBr)ccc(n2)Cl
• Canonical SMILES: BrCc1ccc2c(c1)ccc(n2)Cl
• InChI: InChI=1S/C10H7BrClN/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-5H,6H2
• InChIKey: VUHAQQKHOFFPEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(bromomethyl)-2-chloroquinoline
• IUPAC Traditional name: 6-(bromomethyl)-2-chloroquinoline
• Synonyms: 6-(bromomethyl)-2-chloroquinoline

Database IDs

• CAS Number: 12637-77-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7278554
• LogD (pH = 7.4): 3.7278597
• Log P: 3.7278597
• Molar Refractivity: 58.6958 cm^3
• Polarizability: 23.323713 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%