6-bromo-8-chloroquinoline

• ChemBase ID: 291430
• Molecular Formular: C9H5BrClN
• Molecular Mass: 242.4997
• Monoisotopic Mass: 240.92938885
• SMILES: Clc1c2ncccc2cc(Br)c1
• Canonical SMILES: Brc1cc2cccnc2c(c1)Cl
• InChI: InChI=1S/C9H5BrClN/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h1-5H
• InChIKey: BDEUOIMCEVFYET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-8-chloroquinoline
• IUPAC Traditional name: 6-bromo-8-chloroquinoline
• Synonyms: 6-Bromo-8-chloroquinoline

Database IDs

• CAS Number: 16567-13-8
• MDL Number: MFCD12913961
• PubChem SID: 180676961
• PubChem CID: 46739616

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5035598
• LogD (pH = 7.4): 3.503696
• Log P: 3.5036979
• Molar Refractivity: 52.4069 cm^3
• Polarizability: 21.559883 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%