1,3-dibromo-2-(2-bromoethoxy)benzene

• ChemBase ID: 287705
• Molecular Formular: C8H7Br3O
• Molecular Mass: 358.85258
• Monoisotopic Mass: 355.80470084
• SMILES: BrCCOc1c(Br)cccc1Br
• Canonical SMILES: BrCCOc1c(Br)cccc1Br
• InChI: InChI=1S/C8H7Br3O/c9-4-5-12-8-6(10)2-1-3-7(8)11/h1-3H,4-5H2
• InChIKey: GGANKCYHHSNNJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dibromo-2-(2-bromoethoxy)benzene
• IUPAC Traditional name: 1,3-dibromo-2-(2-bromoethoxy)benzene
• Synonyms: 1,3-dibromo-2-(2-bromoethoxy)benzene

Database IDs

• CAS Number: 206347-32-2
• PubChem SID: 180673236
• PubChem CID: 29272284

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.203065
• LogD (pH = 7.4): 4.203065
• Log P: 4.203065
• Molar Refractivity: 60.0936 cm^3
• Polarizability: 23.60627 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%