Cas no 800400-47-9 (1H-Indole-3-carboxaldehyde,2,5,6-trichloro-)

1H-Indole-3-carboxaldehyde,2,5,6-trichloro- structure
800400-47-9 structure
Product Name:1H-Indole-3-carboxaldehyde,2,5,6-trichloro-
CAS No:800400-47-9
MF:C9H4Cl3NO
MW:248.493159294128
CID:712748
PubChem ID:11345666
Update Time:2025-04-19

1H-Indole-3-carboxaldehyde,2,5,6-trichloro- Chemical and Physical Properties

Names and Identifiers

    • 1H-Indole-3-carboxaldehyde,2,5,6-trichloro-
    • 2,5,6-TRICHLORO-1H-INDOLE-3-CARBALDEHYDE
    • 1H-Indole-3-carboxaldehyde,2,5,6-trichloro
    • 3-formyl-2,5,6-trichloroindole
    • 800400-47-9
    • Z1269191890
    • DTXSID70463067
    • SCHEMBL1626244
    • EN300-6480909
    • Inchi： 1S/C9H4Cl3NO/c10-6-1-4-5(3-14)9(12)13-8(4)2-7(6)11/h1-3,13H
    • InChI Key： JHNMIGWYZMQLOQ-UHFFFAOYSA-N
    • SMILES： ClC1=C(C=O)C2C=C(C(=CC=2N1)Cl)Cl

Computed Properties

  • Exact Mass: 246.93600
  • Monoisotopic Mass: 246.935847g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 238
  • 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
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 3.7
  • Topological Polar Surface Area: 32.9?2

Experimental Properties

  • PSA: 32.86000
  • LogP: 3.94060

1H-Indole-3-carboxaldehyde,2,5,6-trichloro- Pricemore >>

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