Cas no 395099-40-8 (1H-Indazole, 3-[3-(1-methylethyl)phenyl]-5-nitro-)

1H-Indazole, 3-[3-(1-methylethyl)phenyl]-5-nitro- structure
395099-40-8 structure
Product Name:1H-Indazole, 3-[3-(1-methylethyl)phenyl]-5-nitro-
CAS No:395099-40-8
MF:C16H15N3O2
MW:281.309203386307
CID:1508841
Update Time:2024-08-24

1H-Indazole, 3-[3-(1-methylethyl)phenyl]-5-nitro- Chemical and Physical Properties

Names and Identifiers

    • 1H-Indazole, 3-[3-(1-methylethyl)phenyl]-5-nitro-
    • Inchi: 1S/C16H15N3O2/c1-10(2)11-4-3-5-12(8-11)16-14-9-13(19(20)21)6-7-15(14)17-18-16/h3-10H,1-2H3,(H,17,18)
    • InChI Key: BBQULKAGFHBLMN-UHFFFAOYSA-N
    • SMILES: N1C2=C(C=C([N+]([O-])=O)C=C2)C(C2=CC=CC(C(C)C)=C2)=N1

Computed Properties

  • Exact Mass: 281.11655

Experimental Properties

  • Density: 1.265±0.06 g/cm3(Predicted)
  • Boiling Point: 497.0±33.0 °C(Predicted)
  • PSA: 71.82
  • pka: 11.42±0.40(Predicted)
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