Cas no 918339-64-7 (1H-Pyrazole, 4-bromo-1-(4-methylphenyl)-5-(trifluoromethyl)-)

1H-Pyrazole, 4-bromo-1-(4-methylphenyl)-5-(trifluoromethyl)- structure
918339-64-7 structure
Product Name:1H-Pyrazole, 4-bromo-1-(4-methylphenyl)-5-(trifluoromethyl)-
CAS No:918339-64-7
MF:C11H8BrF3N2
MW:305.093832015991
CID:777357
PubChem ID:29078495
Update Time:2025-04-19

1H-Pyrazole, 4-bromo-1-(4-methylphenyl)-5-(trifluoromethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole, 4-bromo-1-(4-methylphenyl)-5-(trifluoromethyl)-
    • 4-bromo-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole
    • 4-Bromo-1-(p-tolyl)-5-(trifluoromethyl)-1H-pyrazole
    • AKOS009277372
    • 4-Bromo-1-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole
    • DTXSID30651928
    • 918339-64-7
    • Inchi: 1S/C11H8BrF3N2/c1-7-2-4-8(5-3-7)17-10(11(13,14)15)9(12)6-16-17/h2-6H,1H3
    • InChI Key: VMYYUAJOIIIZEC-UHFFFAOYSA-N
    • SMILES: BrC1C=NN(C=1C(F)(F)F)C1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 303.98230g/mol
  • Monoisotopic Mass: 303.98230g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 264
  • 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: 3.9
  • Topological Polar Surface Area: 17.8?2
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