Cas no 1368231-70-2 (4-Bromo-1H-indole-2-carbaldehyde)

4-Bromo-1H-indole-2-carbaldehyde structure
1368231-70-2 structure
Product Name:4-Bromo-1H-indole-2-carbaldehyde
CAS No:1368231-70-2
MF:C9H6BrNO
MW:224.054041385651
MDL:MFCD22035920
CID:1038570
PubChem ID:70701020
Update Time:2025-04-20

4-Bromo-1H-indole-2-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-1H-indole-2-carbaldehyde
    • AK100510
    • ANW-70173
    • CTK8C3498
    • KB-240486
    • MolPort-022-435-837
    • 6518AA
    • FCH1581580
    • 1H-Indole-2-carboxaldehyde, 4-bromo-
    • AX8241455
    • ST24023324
    • DTXSID10743799
    • 1368231-70-2
    • 4-Bromo-1H-indole-2-carboxaldehyde
    • A886627
    • Z1416165022
    • EN300-1702938
    • AS-62576
    • MFCD22035920
    • AKOS016002573
    • C72474
    • SCHEMBL23706033
    • DB-167039
    • MDL: MFCD22035920
    • Inchi: 1S/C9H6BrNO/c10-8-2-1-3-9-7(8)4-6(5-12)11-9/h1-5,11H
    • InChI Key: QMULHCUEKZWWSC-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC2=C1C=C(C=O)N2

Computed Properties

  • Exact Mass: 222.96328g/mol
  • Monoisotopic Mass: 222.96328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 185
  • 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
  • Topological Polar Surface Area: 32.9
  • XLogP3: 2.5

Experimental Properties

  • Boiling Point: 395.6±22.0°C at 760 mmHg

4-Bromo-1H-indole-2-carbaldehyde Security Information

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