Cas no 62784-48-9 (1,4-Naphthalenedione, 5-bromo-)

1,4-Naphthalenedione, 5-bromo- structure
62784-48-9 structure
Product Name:1,4-Naphthalenedione, 5-bromo-
CAS No:62784-48-9
MF:C10H5BrO2
MW:237.049502134323
CID:431457
PubChem ID:12336401
Update Time:2025-04-19

1,4-Naphthalenedione, 5-bromo- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Naphthalenedione, 5-bromo-
    • 5-bromonaphthalene-1,4-dione
    • SCHEMBL8895156
    • 62784-48-9
    • DTXSID80491412
    • 5-Bromo-1,4-naphthoquinone
    • Inchi: 1S/C10H5BrO2/c11-7-3-1-2-6-8(12)4-5-9(13)10(6)7/h1-5H
    • InChI Key: AIWJWAXZGOKRRH-UHFFFAOYSA-N
    • SMILES: BrC1C=CC=C2C(C=CC(C2=1)=O)=O

Computed Properties

  • Exact Mass: 235.94725
  • Monoisotopic Mass: 235.94729g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 283
  • 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: 2.4
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14
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