Cas no 835653-03-7 (Pyrimidine, compd. with benzene (1:1))

Pyrimidine, compd. with benzene (1:1) structure
835653-03-7 structure
Product Name:Pyrimidine, compd. with benzene (1:1)
CAS No:835653-03-7
MF:C10H10N2
MW:158.199801921844
CID:668932
PubChem ID:22759108
Update Time:2025-04-19

Pyrimidine, compd. with benzene (1:1) Chemical and Physical Properties

Names and Identifiers

    • Pyrimidine, compd. with benzene (1:1)
    • benzene,pyrimidine
    • DTXSID70628174
    • SCHEMBL10697562
    • 835653-03-7
    • Benzene--pyrimidine (1/1)
    • Inchi: 1S/C6H6.C4H4N2/c1-2-4-6-5-3-1;1-2-5-4-6-3-1/h1-6H;1-4H
    • InChI Key: CRLNSROCLKFIOK-UHFFFAOYSA-N
    • SMILES: N1C=NC=CC=1.C1C=CC=CC=1

Computed Properties

  • Exact Mass: 158.084398327g/mol
  • Monoisotopic Mass: 158.084398327g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 48
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 25.8?2

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