Cas no 1207-38-1 (Ethyl 5-iodo-1H-indazole-3-carboxylate)

Ethyl 5-iodo-1H-indazole-3-carboxylate structure
1207-38-1 structure
Product Name:Ethyl 5-iodo-1H-indazole-3-carboxylate
CAS No:1207-38-1
MF:C10H9IN2O2
MW:316.095134496689
MDL:MFCD07371579
CID:895774
PubChem ID:12689365
Update Time:2025-04-19

Ethyl 5-iodo-1H-indazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-iodo-1H-indazole-3-carboxylate
    • 5-Iod-3-ethoxycarbonyl-indazol
    • 5-iodo-1(2)H-indazole-3-carboxylic acid ethyl ester
    • ZADSLVOSOVLXLW-UHFFFAOYSA-N
    • SCHEMBL5922444
    • BAA20738
    • CS-0442410
    • ETHYL5-IODO-1H-INDAZOLE-3-CARBOXYLATE
    • DB-061792
    • SB31729
    • DTXSID40506970
    • 1207-38-1
    • MDL: MFCD07371579
    • Inchi: 1S/C10H9IN2O2/c1-2-15-10(14)9-7-5-6(11)3-4-8(7)12-13-9/h3-5H,2H2,1H3,(H,12,13)
    • InChI Key: ZADSLVOSOVLXLW-UHFFFAOYSA-N
    • SMILES: IC1C=CC2=C(C=1)C(C(=O)OCC)=NN2

Computed Properties

  • Exact Mass: 315.97100
  • Monoisotopic Mass: 315.97088g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 250
  • 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: 2.8
  • Topological Polar Surface Area: 55?2

Experimental Properties

  • PSA: 54.98000
  • LogP: 2.34420

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