Cas no 904707-56-8 (Pyrimidine,5-(4-ethylphenyl)-)

Pyrimidine,5-(4-ethylphenyl)- structure
Pyrimidine,5-(4-ethylphenyl)- structure
Product Name:Pyrimidine,5-(4-ethylphenyl)-
CAS No:904707-56-8
MF:C12H12N2
MW:184.237082481384
CID:797676
PubChem ID:45117396
Update Time:2025-04-19

Pyrimidine,5-(4-ethylphenyl)- Chemical and Physical Properties

Names and Identifiers

    • Pyrimidine,5-(4-ethylphenyl)-
    • Pyrimidine, 5-(4-ethylphenyl)- (9CI)
    • SCHEMBL2056387
    • 904707-56-8
    • 5-(4-ethylphenyl)pyrimidine
    • Inchi: 1S/C12H12N2/c1-2-10-3-5-11(6-4-10)12-7-13-9-14-8-12/h3-9H,2H2,1H3
    • InChI Key: BXMWTZSHGOOMNO-UHFFFAOYSA-N
    • SMILES: N1C=NC=C(C=1)C1C=CC(=CC=1)CC

Computed Properties

  • Exact Mass: 184.100048391g/mol
  • Monoisotopic Mass: 184.100048391g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 156
  • 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: 2.6
  • Topological Polar Surface Area: 25.8?2
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