Cas no 13616-13-2 (1H-Naphth[2,3-d]imidazole-2-carboxaldehyde)

1H-Naphth[2,3-d]imidazole-2-carboxaldehyde structure
13616-13-2 structure
Product Name:1H-Naphth[2,3-d]imidazole-2-carboxaldehyde
CAS No:13616-13-2
MF:C12H8N2O
MW:196.20472240448
CID:119788
PubChem ID:45078607
Update Time:2025-04-18

1H-Naphth[2,3-d]imidazole-2-carboxaldehyde Chemical and Physical Properties

Names and Identifiers

    • 1H-Naphth[2,3-d]imidazole-2-carboxaldehyde
    • 1H-benzo[f]benzimidazole-2-carbaldehyde
    • 1H-Naphth[2,3-d]imidazole-2-carboxaldehyde(8CI)
    • DTXSID50663568
    • 1H-NAPHTHO[2,3-D]IMIDAZOLE-2-CARBALDEHYDE
    • 13616-13-2
    • Inchi: 1S/C12H8N2O/c15-7-12-13-10-5-8-3-1-2-4-9(8)6-11(10)14-12/h1-7H,(H,13,14)
    • InChI Key: DDETXIFZMCRHJB-UHFFFAOYSA-N
    • SMILES: O=CC1=NC2C=C3C=CC=CC3=CC=2N1

Computed Properties

  • Exact Mass: 196.06374
  • Monoisotopic Mass: 196.064
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 256
  • 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: 45.8A^2
  • XLogP3: 2.2

Experimental Properties

  • PSA: 45.75
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