Cas no 142941-71-7 (1-((3-Bromoisoxazol-5-yl))methanamine hydrobromide)

1-((3-Bromoisoxazol-5-yl))methanamine hydrobromide structure
142941-71-7 structure
Product Name:1-((3-Bromoisoxazol-5-yl))methanamine hydrobromide
CAS No:142941-71-7
MF:C4H6Br2N2O
MW:257.911239147186
CID:1083340
PubChem ID:73553442
Update Time:2025-04-20

1-((3-Bromoisoxazol-5-yl))methanamine hydrobromide Chemical and Physical Properties

Names and Identifiers

    • 1-((3-Bromoisoxazol-5-yl))methanamine hydrobromide
    • 1-(3-Bromo-1,2-oxazol-5-yl)methanamine hydrobromide (1:1)
    • 142941-71-7
    • DB-362631
    • Inchi: 1S/C4H5BrN2O.BrH/c5-4-1-3(2-6)8-7-4;/h1H,2,6H2;1H
    • InChI Key: JMFGCMDJPWQNGE-UHFFFAOYSA-N
    • SMILES: BrC1C=C(CN)ON=1.Br

Computed Properties

  • Exact Mass: 257.883
  • Monoisotopic Mass: 255.885
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 80.4
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 52A^2
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