Cas no 105170-52-3 (Benzonitrile, 3,5-dibromo-4-iodo-)

Benzonitrile, 3,5-dibromo-4-iodo- structure
105170-52-3 structure
Product Name:Benzonitrile, 3,5-dibromo-4-iodo-
CAS No:105170-52-3
MF:C7H2Br2IN
MW:386.809952259064
CID:3574161
PubChem ID:14673568
Update Time:2025-04-22

Benzonitrile, 3,5-dibromo-4-iodo- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile, 3,5-dibromo-4-iodo-
    • 105170-52-3
    • 3,5-dibromo-4-iodobenzonitrile
    • SCHEMBL3215071
    • Inchi: 1S/C7H2Br2IN/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2H
    • InChI Key: GHPZWUGPJIKRHD-UHFFFAOYSA-N
    • SMILES: C(#N)C1=CC(Br)=C(I)C(Br)=C1

Computed Properties

  • Exact Mass: 386.75782Da
  • Monoisotopic Mass: 384.75987Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 176
  • 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: 3.7
  • Topological Polar Surface Area: 23.8?2
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