Cas no 885519-74-4 (Methyl 6-iodo-1H-indazole-4-carboxylate)

Methyl 6-iodo-1H-indazole-4-carboxylate structure
885519-74-4 structure
Product Name:Methyl 6-iodo-1H-indazole-4-carboxylate
CAS No:885519-74-4
MF:C9H7IN2O2
MW:302.068554162979
MDL:MFCD07781391
CID:840449
PubChem ID:24728140
Update Time:2025-04-19

Methyl 6-iodo-1H-indazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 6-iodo-1H-indazole-4-carboxylate
    • 6-Iodo-4-indazolecarboxylic acid methyl ester
    • DTXSID20646202
    • methyl6-iodo-1H-indazole-4-carboxylate
    • PB15918
    • 6-Iodo-4-indazolecarboxylic acid methyl ester
    • 885519-74-4
    • CS-0054848
    • P10503
    • A861809
    • AKOS022173115
    • DB-359554
    • MDL： MFCD07781391
    • Inchi： 1S/C9H7IN2O2/c1-14-9(13)6-2-5(10)3-8-7(6)4-11-12-8/h2-4H,1H3,(H,11,12)
    • InChI Key： ZOOMQLDJAAKYAR-UHFFFAOYSA-N
    • SMILES： IC1C=C(C(=O)OC)C2C=NNC=2C=1

Computed Properties

  • Exact Mass: 301.95523g/mol
  • Monoisotopic Mass: 301.95523g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 237
  • 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: 2.1
  • Topological Polar Surface Area: 55?2

Experimental Properties

  • Density: 1.948±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Very slightly soluble (0.28 g/l) (25 o C),

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