4-bromo-2-iodo-1-methoxybenzene

• ChemBase ID: 293126
• Molecular Formular: C7H6BrIO
• Molecular Mass: 312.93041
• Monoisotopic Mass: 311.86467481
• SMILES: COc1ccc(Br)cc1I
• Canonical SMILES: COc1ccc(cc1I)Br
• InChI: InChI=1S/C7H6BrIO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
• InChIKey: CTPNHFOXNXLPCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-iodo-1-methoxybenzene
• IUPAC Traditional name: 4-bromo-2-iodo-1-methoxybenzene
• Synonyms: 4-Bromo-2-iodo-1-methoxybenzene

Database IDs

• CAS Number: 98273-59-7
• MDL Number: MFCD13186707
• PubChem SID: 180678657
• PubChem CID: 10979904

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5132716
• LogD (pH = 7.4): 3.5132716
• Log P: 3.5132716
• Molar Refractivity: 53.5065 cm^3
• Polarizability: 21.128681 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%