5-bromo-2-iodobenzaldehyde

• ChemBase ID: 67781
• Molecular Formular: C7H4BrIO
• Molecular Mass: 310.91453
• Monoisotopic Mass: 309.84902475
• SMILES: C(=O)c1c(ccc(c1)Br)I
• Canonical SMILES: O=Cc1cc(Br)ccc1I
• InChI: InChI=1S/C7H4BrIO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H
• InChIKey: MOELYMOGQIDKNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 689291-89-2
• MDL Number: MFCD07779026
• PubChem SID: 162033516
• PubChem CID: 21973861

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: 20.542246 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%