4-bromo-6-chloroquinoline

• ChemBase ID: 291429
• Molecular Formular: C9H5BrClN
• Molecular Mass: 242.4997
• Monoisotopic Mass: 240.92938885
• SMILES: Clc1ccc2nccc(Br)c2c1
• Canonical SMILES: Clc1ccc2c(c1)c(Br)ccn2
• InChI: InChI=1S/C9H5BrClN/c10-8-3-4-12-9-2-1-6(11)5-7(8)9/h1-5H
• InChIKey: FEBLUGZKVJAOLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-6-chloroquinoline
• IUPAC Traditional name: 4-bromo-6-chloroquinoline
• Synonyms: 4-Bromo-6-chloroquinoline

Database IDs

• CAS Number: 1070879-30-9
• MDL Number: MFCD11505112
• PubChem SID: 180676960
• PubChem CID: 21568282

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5033183
• LogD (pH = 7.4): 3.503693
• Log P: 3.5036979
• Molar Refractivity: 52.4069 cm^3
• Polarizability: 21.537266 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%