Cas no 50372-70-8 (Methanone, (4,5-dibromo-1H-pyrrol-2-yl)(3-methoxyphenyl)-)

Methanone, (4,5-dibromo-1H-pyrrol-2-yl)(3-methoxyphenyl)- structure
50372-70-8 structure
Product Name:Methanone, (4,5-dibromo-1H-pyrrol-2-yl)(3-methoxyphenyl)-
CAS No:50372-70-8
MF:C12H9Br2NO2
MW:359.013361692429
CID:365044
PubChem ID:21488750
Update Time:2025-04-19

Methanone, (4,5-dibromo-1H-pyrrol-2-yl)(3-methoxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • Methanone, (4,5-dibromo-1H-pyrrol-2-yl)(3-methoxyphenyl)-
    • (4,5-dibromo-1H-pyrrol-2-yl)-(3-methoxyphenyl)methanone
    • DTXSID00614707
    • 50372-70-8
    • (4,5-Dibromo-1H-pyrrol-2-yl)(3-methoxyphenyl)methanone
    • SCHEMBL11868641
    • Inchi: 1S/C12H9Br2NO2/c1-17-8-4-2-3-7(5-8)11(16)10-6-9(13)12(14)15-10/h2-6,15H,1H3
    • InChI Key: RJANZYLLMXRKLQ-UHFFFAOYSA-N
    • SMILES: BrC1=C(C=C(C(C2C=CC=C(C=2)OC)=O)N1)Br

Computed Properties

  • Exact Mass: 356.89997
  • Monoisotopic Mass: 356.90000g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 288
  • 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: 4.1
  • Topological Polar Surface Area: 42.1?2

Experimental Properties

  • PSA: 42.09
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