1-bromo-3-ethoxy-2-iodobenzene

• ChemBase ID: 291512
• Molecular Formular: C8H8BrIO
• Molecular Mass: 326.95699
• Monoisotopic Mass: 325.88032488
• SMILES: Ic1c(OCC)cccc1Br
• Canonical SMILES: CCOc1cccc(c1I)Br
• InChI: InChI=1S/C8H8BrIO/c1-2-11-7-5-3-4-6(9)8(7)10/h3-5H,2H2,1H3
• InChIKey: VFVWGSAUFKCRRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-3-ethoxy-2-iodobenzene
• IUPAC Traditional name: 1-bromo-3-ethoxy-2-iodobenzene
• Synonyms: 1-Bromo-3-ethoxy-2-iodobenzene

Database IDs

• CAS Number: 1072944-94-5
• MDL Number: MFCD11504954
• PubChem SID: 180677043
• PubChem CID: 45480372

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8700795
• LogD (pH = 7.4): 3.8700795
• Log P: 3.8700795
• Molar Refractivity: 58.2551 cm^3
• Polarizability: 22.910395 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%