Cas no 1211515-05-7 (Pyrimidine, 2-chloro-5-(1,1-difluoroethyl)-)

Pyrimidine, 2-chloro-5-(1,1-difluoroethyl)- structure
1211515-05-7 structure
Product Name:Pyrimidine, 2-chloro-5-(1,1-difluoroethyl)-
CAS No:1211515-05-7
MF:C6H5ClF2N2
MW:178.567g/molg/mol
MDL:MFCD28679982
CID:5177183
Update Time:2023-04-05

Pyrimidine, 2-chloro-5-(1,1-difluoroethyl)- Chemical and Physical Properties

Names and Identifiers

    • Pyrimidine, 2-chloro-5-(1,1-difluoroethyl)-
    • 2-chloro-5-(1,1-difluoroethyl)pyrimidine
    • MDL: MFCD28679982
    • Inchi: 1S/C6H5ClF2N2/c1-6(8,9)4-2-10-5(7)11-3-4/h2-3H,1H3
    • InChI Key: OXZWUFYWXOINRR-UHFFFAOYSA-N
    • SMILES: C1(Cl)=NC=C(C(F)(F)C)C=N1

Computed Properties

  • Exact Mass: 178.011
  • Monoisotopic Mass: 178.011
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 135
  • 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

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