6-bromo-4-iodoquinoline

• ChemBase ID: 293729
• Molecular Formular: C9H5BrIN
• Molecular Mass: 333.95117
• Monoisotopic Mass: 332.86500917
• SMILES: Ic1ccnc2ccc(Br)cc12
• Canonical SMILES: Brc1ccc2c(c1)c(I)ccn2
• InChI: InChI=1S/C9H5BrIN/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H
• InChIKey: BWFLFNVNIISPPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 927801-23-8
• MDL Number: MFCD08437008
• PubChem SID: 180679260
• PubChem CID: 17750595

CALCULATED PROPERTIES

• Polarizability: 24.903591 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8281918
• LogD (pH = 7.4): 3.8285925
• Log P: 3.8285975
• Molar Refractivity: 60.9646 cm^3

PROPERTIES

Product Information

• Purity: 95+%; 98%