2-bromo-5-iodobenzaldehyde

• ChemBase ID: 289240
• Molecular Formular: C7H4BrIO
• Molecular Mass: 310.91453
• Monoisotopic Mass: 309.84902475
• SMILES: O=Cc1cc(I)ccc1Br
• Canonical SMILES: O=Cc1cc(I)ccc1Br
• InChI: InChI=1S/C7H4BrIO/c8-7-2-1-6(9)3-5(7)4-10/h1-4H
• InChIKey: AOWLJNHNEZGEOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-iodobenzaldehyde
• IUPAC Traditional name: 2-bromo-5-iodobenzaldehyde
• Synonyms: 2-Bromo-5-iodobenzaldehyde

Database IDs

• CAS Number: 1032231-24-5
• PubChem SID: 180674771
• PubChem CID: 51358477

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3834453
• LogD (pH = 7.4): 3.3834453
• Log P: 3.3834453
• Molar Refractivity: 53.6273 cm^3
• Polarizability: 20.541368 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%