Cas no 300627-43-4 (Benzonitrile, 2-iodo-4-nitro-)

Benzonitrile, 2-iodo-4-nitro- structure
Benzonitrile, 2-iodo-4-nitro- structure
Product Name:Benzonitrile, 2-iodo-4-nitro-
CAS No:300627-43-4
MF:C7H3IN2O2
MW:274.01539349556
CID:1441015
PubChem ID:10778681
Update Time:2025-04-20

Benzonitrile, 2-iodo-4-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile, 2-iodo-4-nitro-
    • 2-Iodo-4-nitrobenzonitrile
    • E74495
    • SCHEMBL3173442
    • 300627-43-4
    • CDNHWNSAPDNORO-UHFFFAOYSA-N
    • 2-iodo-4-nitro-benzonitrile
    • BS-46553
    • Inchi: 1S/C7H3IN2O2/c8-7-3-6(10(11)12)2-1-5(7)4-9/h1-3H
    • InChI Key: CDNHWNSAPDNORO-UHFFFAOYSA-N
    • SMILES: IC1=C(C#N)C=CC(=C1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 273.92349
  • Monoisotopic Mass: 273.92392g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 229
  • 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: 2.1
  • Topological Polar Surface Area: 69.6?2

Experimental Properties

  • PSA: 66.93

Benzonitrile, 2-iodo-4-nitro- Pricemore >>

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