7-bromo-3-chloroquinoline

• ChemBase ID: 291810
• Molecular Formular: C9H5BrClN
• Molecular Mass: 242.4997
• Monoisotopic Mass: 240.92938885
• SMILES: Clc1cc2c(cc(Br)cc2)nc1
• Canonical SMILES: Brc1ccc2c(c1)ncc(c2)Cl
• InChI: InChI=1S/C9H5BrClN/c10-7-2-1-6-3-8(11)5-12-9(6)4-7/h1-5H
• InChIKey: IRHYJYLFQWBXBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-3-chloroquinoline
• IUPAC Traditional name: 7-bromo-3-chloroquinoline
• Synonyms: 7-Bromo-3-chloroquinoline

Database IDs

• CAS Number: 1246549-62-1
• MDL Number: MFCD18253967
• PubChem SID: 180677341
• PubChem CID: 53393240

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5036154
• LogD (pH = 7.4): 3.5036967
• Log P: 3.5036979
• Molar Refractivity: 52.4069 cm^3
• Polarizability: 21.549473 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%