Cas no 2697155-53-4 (2,2'-dichloro-5,5'-bipyrimidine-4,4',6,6'-d4)

2,2'-dichloro-5,5'-bipyrimidine-4,4',6,6'-d4 structure
2697155-53-4 structure
Product Name:2,2'-dichloro-5,5'-bipyrimidine-4,4',6,6'-d4
CAS No:2697155-53-4
MF:C8H4Cl2N4
MW:231.074805259705
CID:6826350
PubChem ID:172406635
Update Time:2025-02-26

2,2'-dichloro-5,5'-bipyrimidine-4,4',6,6'-d4 Chemical and Physical Properties

Names and Identifiers

    • 2697155-53-4
    • CS-24513
    • 2,2'-dichloro-5,5'-bipyrimidine-4,4',6,6'-d4
    • Inchi: 1S/C8H4Cl2N4/c9-7-11-1-5(2-12-7)6-3-13-8(10)14-4-6/h1-4H/i1D,2D,3D,4D
    • InChI Key: OYTNEZPZQCEQPH-RHQRLBAQSA-N
    • SMILES: ClC1=NC([2H])=C(C([2H])=N1)C1=C([2H])N=C(N=C1[2H])Cl

Computed Properties

  • Exact Mass: 230.0064085Da
  • Monoisotopic Mass: 230.0064085Da
  • Isotope Atom Count: 4
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 156
  • 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
  • Topological Polar Surface Area: 51.6?2
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