Cas no 474744-84-8 (methyl 5-bromonicotinate-1-oxide)

methyl 5-bromonicotinate-1-oxide structure
474744-84-8 structure
Product Name:methyl 5-bromonicotinate-1-oxide
CAS No:474744-84-8
MF:C7H6BrNO3
MW:232.0314412117
CID:2147506
PubChem ID:11436184
Update Time:2025-04-21

methyl 5-bromonicotinate-1-oxide Chemical and Physical Properties

Names and Identifiers

    • methyl 5-bromonicotinate-1-oxide
    • 3-bromo-5-(methoxycarbonyl)pyridine 1-oxide
    • SCHEMBL1505512
    • 474744-84-8
    • 3-methoxycarbonyl-5-bromopyridine-N-oxide
    • KKDIFOYLRWSFSF-UHFFFAOYSA-N
    • DB-320043
    • Inchi: 1S/C7H6BrNO3/c1-12-7(10)5-2-6(8)4-9(11)3-5/h2-4H,1H3
    • InChI Key: KKDIFOYLRWSFSF-UHFFFAOYSA-N
    • SMILES: BrC1=C[N+](=CC(C(=O)OC)=C1)[O-]

Computed Properties

  • Exact Mass: 230.95311Da
  • Monoisotopic Mass: 230.95311Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 176
  • 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: 0.4
  • Topological Polar Surface Area: 51.8?2

methyl 5-bromonicotinate-1-oxide Pricemore >>

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