Cas no 40131-99-5 (2-bromo-1-(3,4-dihydroxyphenyl)ethanone)

2-bromo-1-(3,4-dihydroxyphenyl)ethanone structure
40131-99-5 structure
Product Name:2-bromo-1-(3,4-dihydroxyphenyl)ethanone
CAS No:40131-99-5
MF:C8H7BrO3
MW:231.043381929398
CID:1514964
PubChem ID:2769387
Update Time:2025-04-21

2-bromo-1-(3,4-dihydroxyphenyl)ethanone Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-1-(3,4-dihydroxyphenyl)ethanone
    • 1(2H)-Naphthalenone, 2-bromo-3,4-dihydro-, oxime
    • 2-bromo-1-(3,4-dihydroxy-phenyl)-ethanone
    • 2-Brom-3,4-dihydro-2H-naphthalin-1-on-oxim
    • AGN-PC-00054R
    • 2-Brom-3',4'-dihydroxyacetophenon
    • 2-bromo-3,4-dihydronaphthalene-1(2H)-onoxime
    • 2-Brom-1-(3,4-dihydroxy-phenyl)-aethanon
    • 2-bromo-3,4-dihydro-2H-naphthalen-1-one oxime
    • 2-Brom-1-oximino-tetralin
    • CTK1F4742
    • 2-Brom-tetralon-(1)-oxim
    • 2-Brom-1-hydroximino-1,2,3,4-tetrahydro-naphthalin
    • 2-bromo-3,4-dihydronaphthalen-l(2H)-one oxime
    • 2-Bromo-3',4'-dihydroxyacetophenone
    • SCHEMBL8343669
    • OULYGWRDONPKAN-UHFFFAOYSA-N
    • 40131-99-5
    • 2-BROMO-1-(3,4-DIHYDROXYPHENYL)ETHAN-1-ONE
    • G90742
    • 2-bromo-1-(3,4-dihydroxyphenyl)ethanone
    • Inchi: 1S/C8H7BrO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,10-11H,4H2
    • InChI Key: OULYGWRDONPKAN-UHFFFAOYSA-N
    • SMILES: BrCC(C1C=CC(=C(C=1)O)O)=O

Computed Properties

  • Exact Mass: 229.95786g/mol
  • Monoisotopic Mass: 229.95786g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 172
  • 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: 2.3
  • Topological Polar Surface Area: 57.5?2
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