Cas no 924904-13-2 (7H-Purine, 2,6-dichloro-7-[[3-(chloromethyl)phenyl]methyl]-)

7H-Purine, 2,6-dichloro-7-[[3-(chloromethyl)phenyl]methyl]- structure
924904-13-2 structure
Product Name:7H-Purine, 2,6-dichloro-7-[[3-(chloromethyl)phenyl]methyl]-
CAS No:924904-13-2
MF:C13H9Cl3N4
MW:327.596359014511
CID:736056
PubChem ID:24205045
Update Time:2025-04-19

7H-Purine, 2,6-dichloro-7-[[3-(chloromethyl)phenyl]methyl]- Chemical and Physical Properties

Names and Identifiers

    • 7H-Purine, 2,6-dichloro-7-[[3-(chloromethyl)phenyl]methyl]-
    • 2,6-dichloro-7-[[3-(chloromethyl)phenyl]methyl]purine
    • 2,6-Dichloro-7-{[3-(chloromethyl)phenyl]methyl}-7H-purine
    • 2,6-Dichloro-7-(3-(chloromethyl)benzyl)-7H-purine
    • DTXSID20639836
    • 924904-13-2
    • NSC734077
    • CHEMBL2262431
    • NSC-734077
    • Inchi: 1S/C13H9Cl3N4/c14-5-8-2-1-3-9(4-8)6-20-7-17-12-10(20)11(15)18-13(16)19-12/h1-4,7H,5-6H2
    • InChI Key: SMTGTLMLUZLZRX-UHFFFAOYSA-N
    • SMILES: ClC1=C2C(=NC(=N1)Cl)N=CN2CC1C=CC=C(CCl)C=1

Computed Properties

  • Exact Mass: 325.989279g/mol
  • Monoisotopic Mass: 325.989279g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 333
  • 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: 4
  • Topological Polar Surface Area: 43.6?2
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