2-bromo-3-chloroquinoline

• ChemBase ID: 292390
• Molecular Formular: C9H5BrClN
• Molecular Mass: 242.4997
• Monoisotopic Mass: 240.92938885
• SMILES: Clc1cc2c(cccc2)nc1Br
• Canonical SMILES: Clc1cc2ccccc2nc1Br
• InChI: InChI=1S/C9H5BrClN/c10-9-7(11)5-6-3-1-2-4-8(6)12-9/h1-5H
• InChIKey: QIKPVFAIKMBIGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3-chloroquinoline
• IUPAC Traditional name: 2-bromo-3-chloroquinoline
• Synonyms: 2-Bromo-3-chloroquinoline

Database IDs

• CAS Number: 120258-63-1
• PubChem SID: 180677921
• PubChem CID: 70701065

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7092197
• LogD (pH = 7.4): 3.7092197
• Log P: 3.7092197
• Molar Refractivity: 53.2491 cm^3
• Polarizability: 21.62053 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%