Cas no 509076-63-5 (Pyridine, 3-(4-bromophenoxy)-4-nitro-, 1-oxide)

Pyridine, 3-(4-bromophenoxy)-4-nitro-, 1-oxide structure
509076-63-5 structure
Product Name:Pyridine, 3-(4-bromophenoxy)-4-nitro-, 1-oxide
CAS No:509076-63-5
MF:C11H7BrN2O4
MW:311.088281869888
CID:363779
PubChem ID:11415679
Update Time:2025-04-19

Pyridine, 3-(4-bromophenoxy)-4-nitro-, 1-oxide Chemical and Physical Properties

Names and Identifiers

    • Pyridine, 3-(4-bromophenoxy)-4-nitro-, 1-oxide
    • 3-(4-bromophenoxy)-4-nitro-1-oxidopyridin-1-ium
    • DTXSID70465228
    • 3-(4-Bromophenoxy)-4-nitro-1-oxo-1lambda~5~-pyridine
    • 4-nitro-3-(4-bromophenoxy)-pyridine N-oxide
    • 509076-63-5
    • MBMHHRKCFZPUSZ-UHFFFAOYSA-N
    • SCHEMBL4376514
    • Inchi: 1S/C11H7BrN2O4/c12-8-1-3-9(4-2-8)18-11-7-13(15)6-5-10(11)14(16)17/h1-7H
    • InChI Key: MBMHHRKCFZPUSZ-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1)OC1C=[N+](C=CC=1[N+](=O)[O-])[O-]

Computed Properties

  • Exact Mass: 309.95891
  • Monoisotopic Mass: 309.95892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 291
  • 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: 1.9
  • Topological Polar Surface Area: 80.5?2

Experimental Properties

  • PSA: 79.31
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