Cas no 81787-94-2 (1-benzyl-1H-indole-2-carbaldehyde)

1-benzyl-1H-indole-2-carbaldehyde structure
81787-94-2 structure
Product Name:1-benzyl-1H-indole-2-carbaldehyde
CAS No:81787-94-2
MF:C16H13NO
MW:235.280524015427
CID:702938
PubChem ID:12916717
Update Time:2025-04-19

1-benzyl-1H-indole-2-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 1-(phenylmethyl)-1H-Indole-2-carboxaldehyde
    • 1-benzyl-1H-indole-2-carbaldehyde
    • 1-benzylindole-2-carbaldehyde
    • DTXSID40512899
    • ZEVVAMDVWHMNDL-UHFFFAOYSA-N
    • FT-0725079
    • N-benzylindolecarbaldehyde
    • SCHEMBL4797082
    • 81787-94-2
    • Inchi: 1S/C16H13NO/c18-12-15-10-14-8-4-5-9-16(14)17(15)11-13-6-2-1-3-7-13/h1-10,12H,11H2
    • InChI Key: ZEVVAMDVWHMNDL-UHFFFAOYSA-N
    • SMILES: O=CC1=CC2C=CC=CC=2N1CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 235.099714038g/mol
  • Monoisotopic Mass: 235.099714038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 285
  • 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: 3.4
  • Topological Polar Surface Area: 22?2

1-benzyl-1H-indole-2-carbaldehyde Pricemore >>

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