Cas no 887591-67-5 (3-(2-Nitrophenyl)isoxazol-5-amine)

3-(2-Nitrophenyl)isoxazol-5-amine structure
887591-67-5 structure
Product Name:3-(2-Nitrophenyl)isoxazol-5-amine
CAS No:887591-67-5
MF:C9H7N3O3
MW:205.170181512833
CID:713669
PubChem ID:20983346
Update Time:2024-10-26

3-(2-Nitrophenyl)isoxazol-5-amine Chemical and Physical Properties

Names and Identifiers

    • 3-(2-Nitrophenyl)isoxazol-5-amine
    • 3-(2-Nitrophenyl)-1,2-oxazol-5-amine
    • 3-(2-Nitro-phenyl)-isoxazol-5-ylamine
    • 5-Isoxazolamine,3-(2-nitrophenyl)-
    • 5-Isoxazolamine, 3-(2-nitrophenyl)-
    • A917596
    • AKOS000261589
    • CS-0365563
    • 887591-67-5
    • DTXSID20610160
    • MDL: MFCD07787067
    • Inchi: 1S/C9H7N3O3/c10-9-5-7(11-15-9)6-3-1-2-4-8(6)12(13)14/h1-5H,10H2
    • InChI Key: ATHKBNBCSNXZHX-UHFFFAOYSA-N
    • SMILES: O1C(N)=CC(C2=CC=CC=C2[N+]([O-])=O)=N1

Computed Properties

  • Exact Mass: 205.04874109g/mol
  • Monoisotopic Mass: 205.04874109g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 243
  • 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
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 1.5
  • Topological Polar Surface Area: 97.9?2

Experimental Properties

  • Density: 1.416±0.06 g/cm3(Predicted)
  • Boiling Point: 447.5±35.0 °C(Predicted)
  • pka: -2.01±0.10(Predicted)

3-(2-Nitrophenyl)isoxazol-5-amine Security Information

  • Storage Condition:Sealed in dry,2-8°C

3-(2-Nitrophenyl)isoxazol-5-amine Pricemore >>

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