1-bromo-2-(2-bromoethoxy)benzene

• ChemBase ID: 245867
• Molecular Formular: C8H8Br2O
• Molecular Mass: 279.95652
• Monoisotopic Mass: 277.89418888
• SMILES: c1(c(OCCBr)cccc1)Br
• Canonical SMILES: BrCCOc1ccccc1Br
• InChI: InChI=1S/C8H8Br2O/c9-5-6-11-8-4-2-1-3-7(8)10/h1-4H,5-6H2
• InChIKey: LOVVQTBEUIBASP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-(2-bromoethoxy)benzene
• IUPAC Traditional name: 1-bromo-2-(2-bromoethoxy)benzene
• Synonyms: 1-bromo-2-(2-bromoethoxy)benzene

Database IDs

• MDL Number: MFCD00634301
• PubChem SID: 164301777
• PubChem CID: 2734928

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4343123
• LogD (pH = 7.4): 3.4343123
• Log P: 3.4343123
• Molar Refractivity: 52.4708 cm^3
• Polarizability: 20.434969 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.566

Product Information

• Purity: 95%