Cas no 1891279-23-4 (4-(3-Amino-1,2-oxazol-5-yl)benzonitrile)

4-(3-Amino-1,2-oxazol-5-yl)benzonitrile structure
1891279-23-4 structure
Product Name:4-(3-Amino-1,2-oxazol-5-yl)benzonitrile
CAS No:1891279-23-4
MF:C10H7N3O
MW:185.182081460953
CID:5917598
PubChem ID:117280031
Update Time:2024-01-11

4-(3-Amino-1,2-oxazol-5-yl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-(3-amino-1,2-oxazol-5-yl)benzonitrile
    • EN300-1817357
    • 1891279-23-4
    • 4-(3-Amino-1,2-oxazol-5-yl)benzonitrile
    • Inchi: 1S/C10H7N3O/c11-6-7-1-3-8(4-2-7)9-5-10(12)13-14-9/h1-5H,(H2,12,13)
    • InChI Key: BFWYOEZENUMUCE-UHFFFAOYSA-N
    • SMILES: O1C(=CC(N)=N1)C1C=CC(C#N)=CC=1

Computed Properties

  • Exact Mass: 185.058911855g/mol
  • Monoisotopic Mass: 185.058911855g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 239
  • 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: 75.8?2

4-(3-Amino-1,2-oxazol-5-yl)benzonitrile Pricemore >>

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