Cas no 14077-72-6 (Pyrimidine,2,4,6-trichloro-5-octyl-)

Pyrimidine,2,4,6-trichloro-5-octyl- structure
14077-72-6 structure
Product Name:Pyrimidine,2,4,6-trichloro-5-octyl-
CAS No:14077-72-6
MF:C12H17Cl3N2
MW:295.635780096054
CID:233721
PubChem ID:260793
Update Time:2025-04-19

Pyrimidine,2,4,6-trichloro-5-octyl- Chemical and Physical Properties

Names and Identifiers

    • Pyrimidine,2,4,6-trichloro-5-octyl-
    • 2,4,6-trichloro-5-octylpyrimidine
    • 2,4,6-Trichlor-5-octyl-pyrimidin
    • 2,4,6-trichloro-5-octyl-pyrimidine
    • AC1L63VY
    • AC1Q3PQK
    • AR-1D3060
    • CTK4C2344
    • NCIOpen2_005813
    • NSC92508
    • NSC-92508
    • 14077-72-6
    • DTXSID70293826
    • Inchi: 1S/C12H17Cl3N2/c1-2-3-4-5-6-7-8-9-10(13)16-12(15)17-11(9)14/h2-8H2,1H3
    • InChI Key: NLLAUDBADWNBAE-UHFFFAOYSA-N
    • SMILES: ClC1C(=C(N=C(N=1)Cl)Cl)CCCCCCCC

Computed Properties

  • Exact Mass: 294.04601
  • Monoisotopic Mass: 294.046
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 7
  • Complexity: 192
  • 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: 7.1
  • Topological Polar Surface Area: 25.8?2

Experimental Properties

  • Density: 1.213
  • Boiling Point: 343.8°Cat760mmHg
  • Flash Point: 192.4°C
  • Refractive Index: 1.523
  • PSA: 25.78
  • LogP: 5.33980
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