Cas no 885519-33-5 (Methyl 4-iodo-1H-indazole-6-carboxylate)

Methyl 4-iodo-1H-indazole-6-carboxylate structure
885519-33-5 structure
Product Name:Methyl 4-iodo-1H-indazole-6-carboxylate
CAS No:885519-33-5
MF:C9H7IN2O2
MW:302.068554162979
MDL:MFCD07781371
CID:840454
PubChem ID:24728119
Update Time:2025-04-19

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

Names and Identifiers

    • Methyl 4-iodo-1H-indazole-6-carboxylate
    • 4-Iodo-6-indazolecarboxylic acid methyl ester
    • PB15917
    • P10502
    • AKOS016004264
    • CS-0054604
    • A861817
    • 885519-33-5
    • Methyl4-iodo-1H-indazole-6-carboxylate
    • FZBDWCSGYBKAOD-UHFFFAOYSA-N
    • SCHEMBL2730016
    • 4-iodo-1H-indazole-6-carboxylic acid methyl ester
    • DTXSID40646183
    • DB-334861
    • 4-Iodo-6-indazolecarboxylic acid methyl ester
    • MDL: MFCD07781371
    • Inchi: 1S/C9H7IN2O2/c1-14-9(13)5-2-7(10)6-4-11-12-8(6)3-5/h2-4H,1H3,(H,11,12)
    • InChI Key: FZBDWCSGYBKAOD-UHFFFAOYSA-N
    • SMILES: IC1=CC(C(=O)OC)=CC2=C1C=NN2

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 (0.29 g/l) (25 o C),

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