1,3-bis(2-bromoethoxy)benzene

• ChemBase ID: 53551
• Molecular Formular: C10H12Br2O2
• Molecular Mass: 324.00908
• Monoisotopic Mass: 321.92040362
• SMILES: c1c(OCCBr)cccc1OCCBr
• Canonical SMILES: BrCCOc1cccc(c1)OCCBr
• InChI: InChI=1S/C10H12Br2O2/c11-4-6-13-9-2-1-3-10(8-9)14-7-5-12/h1-3,8H,4-7H2
• InChIKey: ZAVWZUBXDZDHQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16885717
• PubChem SID: 162058314
• PubChem CID: 10615930

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3578734
• LogD (pH = 7.4): 3.3578734
• Log P: 3.3578734
• Molar Refractivity: 63.638 cm^3
• Polarizability: 24.692608 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false