Cas no 105694-44-8 (7-bromo-3H-isobenzofuran-1-one)

7-bromo-3H-isobenzofuran-1-one structure
105694-44-8 structure
Product Name:7-bromo-3H-isobenzofuran-1-one
CAS No:105694-44-8
MF:C8H5BrO2
MW:213.028101682663
MDL:MFCD18204744
CID:1161740
PubChem ID:13720121
Update Time:2024-11-03

7-bromo-3H-isobenzofuran-1-one Chemical and Physical Properties

Names and Identifiers

    • 7-bromo-3H-2-benzofuran-1-one
    • 7-bromophthalide
    • 7-Brom-phthalid
    • 7-bromo-phthalide
    • SureCN855553
    • CTK0G4873
    • 1(3H)-Isobenzofuranone, 7-bromo-
    • ACMC-20m8sx
    • AGN-PC-00NP92
    • 7-Bromoisobenzofuran-1(3H)-one
    • AS-61027
    • DTXSID40547580
    • Y12627
    • SCHEMBL855553
    • 7-Bromo-2-benzofuran-1(3H)-one
    • 7-Bromo-3H-isobenzofuran-1-one
    • SY272662
    • CS-0132505
    • AKOS022690781
    • A856235
    • 105694-44-8
    • 7-bromo-1,3-dihydro-2-benzofuran-1-one
    • MFCD18204744
    • 7-bromo-3H-isobenzofuran-1-one
    • MDL： MFCD18204744
    • Inchi： 1S/C8H5BrO2/c9-6-3-1-2-5-4-11-8(10)7(5)6/h1-3H,4H2
    • InChI Key： BSKYWJYGAQMPLU-UHFFFAOYSA-N
    • SMILES： BrC1=CC=CC2COC(C=21)=O

Computed Properties

  • Exact Mass: 211.94725
  • Monoisotopic Mass: 211.94729g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 181
  • 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
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3

7-bromo-3H-isobenzofuran-1-one Pricemore >>

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