Cas no 1245644-77-2 (1-Bromo-3,5-bis(tert-butoxymethyl)benzene)

1-Bromo-3,5-bis(tert-butoxymethyl)benzene structure
1245644-77-2 structure
Product Name:1-Bromo-3,5-bis(tert-butoxymethyl)benzene
CAS No:1245644-77-2
MF:C16H25BrO2
MW:329.2725045681
MDL:MFCD17677271
CID:1035169
PubChem ID:71302067
Update Time:2025-04-20

1-Bromo-3,5-bis(tert-butoxymethyl)benzene Chemical and Physical Properties

Names and Identifiers

    • 1-Bromo-3,5-bis(tert-butoxymethyl)benzene
    • 1-bromo-3,5-bis[(2-methylpropan-2-yl)oxymethyl]benzene
    • Benzene, 1-bromo-3,5-bis[(1,1-dimethylethoxy)methyl]-
    • C16H25BrO2
    • 1245644-77-2
    • DB-250345
    • DTXSID90744502
    • MDL: MFCD17677271
    • Inchi: 1S/C16H25BrO2/c1-15(2,3)18-10-12-7-13(9-14(17)8-12)11-19-16(4,5)6/h7-9H,10-11H2,1-6H3
    • InChI Key: DOOPBMHZUGISGU-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C=C(C=1)COC(C)(C)C)COC(C)(C)C

Computed Properties

  • Exact Mass: 328.10379g/mol
  • Monoisotopic Mass: 328.10379g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 6
  • Complexity: 239
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.9
  • Topological Polar Surface Area: 18.5?2

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