Cas no 127413-59-6 (1-(3-Bromo-5-nitrophenyl)ethanone)

1-(3-Bromo-5-nitrophenyl)ethanone structure
127413-59-6 structure
Product Name:1-(3-Bromo-5-nitrophenyl)ethanone
CAS No:127413-59-6
MF:C8H6BrNO3
MW:244.042141437531
MDL:MFCD20923634
CID:1025302
PubChem ID:182852
Update Time:2025-04-20

1-(3-Bromo-5-nitrophenyl)ethanone Chemical and Physical Properties

Names and Identifiers

    • 1-(3-Bromo-5-nitrophenyl)ethanone
    • 1-(3-bromo-5-nitro-phenyl)ethanone
    • 1-(3-Bromo-5-nitro-phenyl)-ethanone
    • 3-bromo-5-nitroacetophenone
    • AB76586
    • AC1L4BS8
    • ACMC-20a9nb
    • ANW-63429
    • CTK0I3926
    • SureCN362241
    • 1-(3-Bromo-5-nitrophenyl)
    • 1-(3-broMo-5-nitrophenyl)ethan-1-one
    • ETHANONE, 1-(3-BROMO-5-NITROPHENYL)-
    • KMNMBNPBERMCLJ-UHFFFAOYSA-N
    • 5341AA
    • ST24037190
    • AKOS016003558
    • MFCD20923634
    • DB-336691
    • SCHEMBL362241
    • 127413-59-6
    • DTXSID00155564
    • CFA41359
    • DS-16045
    • MDL: MFCD20923634
    • Inchi: 1S/C8H6BrNO3/c1-5(11)6-2-7(9)4-8(3-6)10(12)13/h2-4H,1H3
    • InChI Key: KMNMBNPBERMCLJ-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C=C(C(C)=O)C=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 242.95308
  • Monoisotopic Mass: 242.95311g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 226
  • 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
  • Topological Polar Surface Area: 62.9
  • XLogP3: 2.1

Experimental Properties

  • PSA: 60.21

1-(3-Bromo-5-nitrophenyl)ethanone Pricemore >>

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