2-bromo-8-chloroquinoline

• ChemBase ID: 291428
• Molecular Formular: C9H5BrClN
• Molecular Mass: 242.4997
• Monoisotopic Mass: 240.92938885
• SMILES: Clc1c2nc(Br)ccc2ccc1
• Canonical SMILES: Brc1ccc2c(n1)c(Cl)ccc2
• InChI: InChI=1S/C9H5BrClN/c10-8-5-4-6-2-1-3-7(11)9(6)12-8/h1-5H
• InChIKey: QSVCZJXVMARGOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-8-chloroquinoline
• IUPAC Traditional name: 2-bromo-8-chloroquinoline
• Synonyms: 2-Bromo-8-chloroquinoline

Database IDs

• CAS Number: 891842-52-7
• MDL Number: MFCD13689182
• PubChem SID: 180676959
• PubChem CID: 53217392

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7092195
• LogD (pH = 7.4): 3.7092197
• Log P: 3.7092197
• Molar Refractivity: 53.2491 cm^3
• Polarizability: 21.613796 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%