Cas no 1308644-52-1 (3-Iodo-1H-indole-5-carboxylic acid)

3-Iodo-1H-indole-5-carboxylic acid structure
1308644-52-1 structure
Product Name:3-Iodo-1H-indole-5-carboxylic acid
CAS No:1308644-52-1
MF:C9H6INO2
MW:287.053914546967
CID:2123168
Update Time:2023-08-03

3-Iodo-1H-indole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-iodo-1H-Indole-5-carboxylic acid
    • 1H-Indole-5-carboxylic acid, 3-iodo-
    • NQRKORQSFPAVTN-UHFFFAOYSA-N
    • Z2755724002
    • 3-Iodo-1H-indole-5-carboxylic acid
    • Inchi： 1S/C9H6INO2/c10-7-4-11-8-2-1-5(9(12)13)3-6(7)8/h1-4,11H,(H,12,13)
    • InChI Key： NQRKORQSFPAVTN-UHFFFAOYSA-N
    • SMILES： IC1=CNC2C=CC(C(=O)O)=CC=21

Computed Properties

  • Exact Mass: 286.944
  • Monoisotopic Mass: 286.944
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 222
  • 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: 1.4
  • Topological Polar Surface Area: 53.1

Experimental Properties

  • Density: 2.1±0.1 g/cm3
  • Boiling Point: 490.6±25.0 °C at 760 mmHg
  • Flash Point: 250.5±23.2 °C
  • Vapor Pressure: 0.0±1.3 mmHg at 25°C

3-Iodo-1H-indole-5-carboxylic acid Security Information

3-Iodo-1H-indole-5-carboxylic acid Pricemore >>

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