4-bromo-1-chloro-2-iodobenzene

• ChemBase ID: 288934
• Molecular Formular: C6H3BrClI
• Molecular Mass: 317.34949
• Monoisotopic Mass: 315.81513778
• SMILES: Ic1cc(Br)ccc1Cl
• Canonical SMILES: Brc1ccc(c(c1)I)Cl
• InChI: InChI=1S/C6H3BrClI/c7-4-1-2-5(8)6(9)3-4/h1-3H
• InChIKey: JNVDPJAUWVJWAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-1-chloro-2-iodobenzene
• IUPAC Traditional name: 4-bromo-1-chloro-2-iodobenzene
• Synonyms: 4-Bromo-1-chloro-2-iodobenzene

Database IDs

• CAS Number: 774608-49-0
• MDL Number: MFCD07780669
• PubChem SID: 180674465
• PubChem CID: 51000071

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.2749877
• LogD (pH = 7.4): 4.2749877
• Log P: 4.2749877
• Molar Refractivity: 51.8481 cm^3
• Polarizability: 20.585855 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%