Cas no 807631-09-0 (2-Amino-1-(4-bromo-2,5-dimethoxyphenyl)-ethanone)

2-Amino-1-(4-bromo-2,5-dimethoxyphenyl)-ethanone structure
807631-09-0 structure
Product Name:2-Amino-1-(4-bromo-2,5-dimethoxyphenyl)-ethanone
CAS No:807631-09-0
MF:C10H12BrNO3
MW:274.11118221283
CID:2085288
PubChem ID:11288812
Update Time:2025-04-21

2-Amino-1-(4-bromo-2,5-dimethoxyphenyl)-ethanone Chemical and Physical Properties

Names and Identifiers

    • 2-Amino-1-(4-bromo-2,5-dimethoxyphenyl)-ethanone
    • BK-2C-B
    • UNII-W6KJ195I24
    • BETA K-2C-B
    • Bk-2C-B compound
    • SCHEMBL20970859
    • Beta-keto 2C-B
    • 2-amino-1-(4-bromo-2,5-dimethoxyphenyl)ethanone
    • 807631-09-0
    • 2-AMINO-1-(4-BROMO-2,5-DIMETHOXYPHENYL)ETHAN-1-ONE
    • AKOS022962093
    • bk-2C-B (hydrochloride)
    • DB-216943
    • .BETA.-KETO 2C-B
    • HHB63109
    • BK 2CB
    • FA182963
    • NS00017375
    • W6KJ195I24
    • DTXSID201045990
    • Ethanone, 2-amino-1-(4-bromo-2,5-dimethoxyphenyl)-
    • Q15408422
    • Inchi： 1S/C10H12BrNO3/c1-14-9-4-7(11)10(15-2)3-6(9)8(13)5-12/h3-4H,5,12H2,1-2H3
    • InChI Key： HFYJGAIOBIDRPX-UHFFFAOYSA-N
    • SMILES： BrC1=CC(=C(C(CN)=O)C=C1OC)OC

Computed Properties

  • Exact Mass: 273.00006Da
  • Monoisotopic Mass: 273.00006Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 225
  • 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: 1.3
  • Topological Polar Surface Area: 61.6?2

2-Amino-1-(4-bromo-2,5-dimethoxyphenyl)-ethanone Related Literature

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