Cas no 1823733-04-5 (2,4-dichloro-5H-pyrrolo[2,3-d]pyrimidine)

2,4-dichloro-5H-pyrrolo[2,3-d]pyrimidine structure
1823733-04-5 structure
Product Name:2,4-dichloro-5H-pyrrolo[2,3-d]pyrimidine
CAS No:1823733-04-5
MF:C6H3Cl2N3
MW:188.014118432999
CID:5735716
PubChem ID:58222519
Update Time:2023-11-07

2,4-dichloro-5H-pyrrolo[2,3-d]pyrimidine Chemical and Physical Properties

Names and Identifiers

    • 1823733-04-5
    • 2,4-dichloro-5H-pyrrolo[2,3-d]pyrimidine
    • Inchi: 1S/C6H3Cl2N3/c7-4-3-1-2-9-5(3)11-6(8)10-4/h2H,1H2
    • InChI Key: LDVNXZGUSKIKCQ-UHFFFAOYSA-N
    • SMILES: ClC1=C2C(=NC(=N1)Cl)N=CC2

Computed Properties

  • Exact Mass: 186.9704025g/mol
  • Monoisotopic Mass: 186.9704025g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 185
  • 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: 1.6
  • Topological Polar Surface Area: 38.1?2
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