Cas no 105391-67-1 (1H-Indazole, 5-(chlorodifluoromethoxy)-)

1H-Indazole, 5-(chlorodifluoromethoxy)- structure
105391-67-1 structure
Product Name:1H-Indazole, 5-(chlorodifluoromethoxy)-
CAS No:105391-67-1
MF:C8H5ClF2N2O
MW:218.587907552719
CID:1153223
Update Time:2024-07-27

1H-Indazole, 5-(chlorodifluoromethoxy)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Indazole, 5-(chlorodifluoromethoxy)-
    • Inchi: 1S/C8H5ClF2N2O/c9-8(10,11)14-6-1-2-7-5(3-6)4-12-13-7/h1-4H,(H,12,13)
    • InChI Key: WBURZKWCXOPVLI-UHFFFAOYSA-N
    • SMILES: N1C2=C(C=C(OC(Cl)(F)F)C=C2)C=N1

Computed Properties

  • Exact Mass: 218.00595

Experimental Properties

  • Density: 1.545±0.06 g/cm3(Predicted)
  • Boiling Point: 305.6±42.0 °C(Predicted)
  • PSA: 37.91
  • pka: 12.79±0.40(Predicted)
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