Cas no 811450-47-2 (Pyrimidine, 2-chloro-4-(1-propynyl)-)

Pyrimidine, 2-chloro-4-(1-propynyl)- structure
811450-47-2 structure
Product Name:Pyrimidine, 2-chloro-4-(1-propynyl)-
CAS No:811450-47-2
MF:C7H5ClN2
MW:152.581000089645
CID:704455
PubChem ID:55276907
Update Time:2025-04-19

Pyrimidine, 2-chloro-4-(1-propynyl)- Chemical and Physical Properties

Names and Identifiers

    • Pyrimidine, 2-chloro-4-(1-propynyl)-
    • 2-CHLORO-4-(PROP-1-YNYL)PYRIMIDINE
    • 2-chloro-4-prop-1-ynylpyrimidine
    • DTXSID20717264
    • AB52922
    • AKOS006328095
    • SCHEMBL13138542
    • 811450-47-2
    • 2-CHLORO-4-(PROP-1-YN-1-YL)PYRIMIDINE
    • Inchi: 1S/C7H5ClN2/c1-2-3-6-4-5-9-7(8)10-6/h4-5H,1H3
    • InChI Key: KRVODAFIAJQTMF-UHFFFAOYSA-N
    • SMILES: ClC1=NC=CC(C#CC)=N1

Computed Properties

  • Exact Mass: 152.014
  • Monoisotopic Mass: 152.014
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 167
  • 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
  • Topological Polar Surface Area: 25.8A^2
  • XLogP3: 2
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