1,3-dibromo-5-iodobenzene

• ChemBase ID: 293978
• Molecular Formular: C6H3Br2I
• Molecular Mass: 361.80049
• Monoisotopic Mass: 359.7646221
• SMILES: Ic1cc(Br)cc(Br)c1
• Canonical SMILES: Brc1cc(Br)cc(c1)I
• InChI: InChI=1S/C6H3Br2I/c7-4-1-5(8)3-6(9)2-4/h1-3H
• InChIKey: KARUMYWDGQTPFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dibromo-5-iodobenzene
• IUPAC Traditional name: 1,3-dibromo-5-iodobenzene
• Synonyms: 1,3-Dibromo-5-iodobenzene

Database IDs

• CAS Number: 19752-57-9
• MDL Number: MFCD07778996
• PubChem SID: 180679509
• PubChem CID: 11068437

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.4396954
• LogD (pH = 7.4): 4.4396954
• Log P: 4.4396954
• Molar Refractivity: 54.6661 cm^3
• Polarizability: 21.76424 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%