Cas no 104669-30-9 (1H-Indole-3-carboxylic acid, 4-iodo-, ethyl ester)

1H-Indole-3-carboxylic acid, 4-iodo-, ethyl ester structure
104669-30-9 structure
Product Name:1H-Indole-3-carboxylic acid, 4-iodo-, ethyl ester
CAS No:104669-30-9
MF:C11H10INO2
MW:315.107075214386
CID:1145073
PubChem ID:71333272
Update Time:2025-04-20

1H-Indole-3-carboxylic acid, 4-iodo-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Indole-3-carboxylic acid, 4-iodo-, ethyl ester
    • ethyl 4-iodo-1H-indole-3-carboxylate
    • 104669-30-9
    • DTXSID20761560
    • Inchi： 1S/C11H10INO2/c1-2-15-11(14)7-6-13-9-5-3-4-8(12)10(7)9/h3-6,13H,2H2,1H3
    • InChI Key： VKUGBWZPIKWWRO-UHFFFAOYSA-N
    • SMILES： IC1=CC=CC2=C1C(C(=O)OCC)=CN2

Computed Properties

  • Exact Mass: 314.9752
  • Monoisotopic Mass: 314.97563g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 247
  • 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: 3.7
  • Topological Polar Surface Area: 42.1?2

Experimental Properties

  • PSA: 42.09

1H-Indole-3-carboxylic acid, 4-iodo-, ethyl ester Related Literature

104669-30-9 (1H-Indole-3-carboxylic acid, 4-iodo-, ethyl ester) Related Products

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