Cas no 102126-70-5 (3,5-dibromo-1(3H)-Isobenzofuranone)

3,5-dibromo-1(3H)-Isobenzofuranone structure
102126-70-5 structure
Product Name:3,5-dibromo-1(3H)-Isobenzofuranone
CAS No:102126-70-5
MF:C8H4Br2O2
MW:291.924160957336
CID:2113307
PubChem ID:57791791
Update Time:2025-04-21

3,5-dibromo-1(3H)-Isobenzofuranone Chemical and Physical Properties

Names and Identifiers

    • 3,5-dibromo-1(3H)-Isobenzofuranone
    • DA-24651
    • 1(3H)-Isobenzofuranone, 3,5-dibromo-
    • 3,5-dibromophthalide
    • AVHYDEJTOWNHJV-UHFFFAOYSA-N
    • CS-0376249
    • 3,5-DIBROMO-2-BENZOFURAN-1(3H)-ONE
    • 3,5-Dibromo-3H-isobenzofuran-1-one
    • 3,5-dibromo-1,3-dihydro-2-benzofuran-1-one
    • AKOS037654778
    • G10416
    • 102126-70-5
    • 3,5-DIBROMO-3H-2-BENZOFURAN-1-ONE
    • LR-0004
    • SCHEMBL86917
    • MFCD18251669
    • 3,5-dibromoisobenzofuran-1(3H)-one
    • Inchi: 1S/C8H4Br2O2/c9-4-1-2-5-6(3-4)7(10)12-8(5)11/h1-3,7H
    • InChI Key: AVHYDEJTOWNHJV-UHFFFAOYSA-N
    • SMILES: BrC1C2C=C(C=CC=2C(=O)O1)Br

Computed Properties

  • Exact Mass: 291.85576g/mol
  • Monoisotopic Mass: 289.8578g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 207
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 291.92g/mol
  • XLogP3: 2.9
  • Topological Polar Surface Area: 26.3?2
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