Cas no 1643542-06-6 (5-Bromo-2-chloro-4-(ethyl-d5)-pyrimidine)

5-Bromo-2-chloro-4-(ethyl-d5)-pyrimidine structure
1643542-06-6 structure
Product Name:5-Bromo-2-chloro-4-(ethyl-d5)-pyrimidine
CAS No:1643542-06-6
MF:C6H6BrClN2
MW:226.51304769516
CID:6810953
PubChem ID:133552643
Update Time:2025-03-06

5-Bromo-2-chloro-4-(ethyl-d5)-pyrimidine Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-2-chloro-4-(ethyl-d5)-pyrimidine
    • 1643542-06-6
    • CS-18606
    • Inchi: 1S/C6H6BrClN2/c1-2-5-4(7)3-9-6(8)10-5/h3H,2H2,1H3/i1D3,2D2
    • InChI Key: LXSSTXFGZLTAAU-ZBJDZAJPSA-N
    • SMILES: BrC1=CN=C(N=C1C([2H])([2H])C([2H])([2H])[2H])Cl

Computed Properties

  • Exact Mass: 224.97167Da
  • Monoisotopic Mass: 224.97167Da
  • Isotope Atom Count: 5
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 112
  • 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: 2.7
  • Topological Polar Surface Area: 25.8?2
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