Cas no 110108-58-2 (Methanone, [5-methyl-2-(1H-pyrazol-1-yl)phenyl]phenyl-)

Methanone, [5-methyl-2-(1H-pyrazol-1-yl)phenyl]phenyl- structure
110108-58-2 structure
Product Name:Methanone, [5-methyl-2-(1H-pyrazol-1-yl)phenyl]phenyl-
CAS No:110108-58-2
MF:C17H14N2O
MW:262.305863857269
CID:1190791
Update Time:2024-08-02

Methanone, [5-methyl-2-(1H-pyrazol-1-yl)phenyl]phenyl- Chemical and Physical Properties

Names and Identifiers

    • Methanone, [5-methyl-2-(1H-pyrazol-1-yl)phenyl]phenyl-
    • Inchi: 1S/C17H14N2O/c1-13-8-9-16(19-11-5-10-18-19)15(12-13)17(20)14-6-3-2-4-7-14/h2-12H,1H3
    • InChI Key: BVLLARJABWNRLV-UHFFFAOYSA-N
    • SMILES: C(C1=CC(C)=CC=C1N1C=CC=N1)(C1=CC=CC=C1)=O

Computed Properties

  • Exact Mass: 262.11072

Experimental Properties

  • Density: 1.12±0.1 g/cm3(Predicted)
  • Melting Point: 97-98 °C(Solv: hexane (110-54-3))
  • Boiling Point: 451.3±45.0 °C(Predicted)
  • PSA: 34.89
  • pka: -0.04±0.10(Predicted)

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