1-bromo-2-chloro-4-ethoxybenzene

• ChemBase ID: 289987
• Molecular Formular: C8H8BrClO
• Molecular Mass: 235.50552
• Monoisotopic Mass: 233.94470456
• SMILES: CCOc1ccc(Br)c(Cl)c1
• Canonical SMILES: CCOc1ccc(c(c1)Cl)Br
• InChI: InChI=1S/C8H8BrClO/c1-2-11-6-3-4-7(9)8(10)5-6/h3-5H,2H2,1H3
• InChIKey: QOVFYQVZTTUBMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 313545-43-6
• PubChem SID: 180675518
• PubChem CID: 22735623

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5451798
• LogD (pH = 7.4): 3.5451798
• Log P: 3.5451798
• Molar Refractivity: 49.6974 cm^3
• Polarizability: 19.448795 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%