Cas no 61985-32-8 (Methanone, 1H-imidazol-4-ylphenyl-)

Methanone, 1H-imidazol-4-ylphenyl- structure
61985-32-8 structure
Product Name:Methanone, 1H-imidazol-4-ylphenyl-
CAS No:61985-32-8
MF:C10H8N2O
MW:172.18332195282
CID:461507
PubChem ID:556113
Update Time:2025-04-19

Methanone, 1H-imidazol-4-ylphenyl- Chemical and Physical Properties

Names and Identifiers

    • Methanone, 1H-imidazol-4-ylphenyl-
    • (1H-imidazol-4-yl)-phenyl-methanone
    • 1H-imidazol-5-yl(phenyl)methanone
    • DECHVIXTYBTMBL-UHFFFAOYSA-N
    • 4-BENZOYL-1H-IMIDAZOLE
    • MLS000765785
    • CS-0248154
    • Z2830704595
    • SCHEMBL6665883
    • 4-Benzoylimidazole
    • EN300-392643
    • MB01607
    • SMR000278891
    • 61985-32-8
    • HMS2762M17
    • (IMIDAZOL-4-YL)(PHENYL)METHANONE
    • AKOS000560503
    • 1H-Imidazol-5-yl(phenyl)methanone #
    • BAS 00717408
    • DTXSID10339419
    • (1H-imidazol-4-yl)(phenyl)methanone
    • SCHEMBL10958770
    • CHEMBL1467218
    • Inchi: 1S/C10H8N2O/c13-10(9-6-11-7-12-9)8-4-2-1-3-5-8/h1-7H,(H,11,12)
    • InChI Key: DECHVIXTYBTMBL-UHFFFAOYSA-N
    • SMILES: O=C(C1=CN=CN1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 172.06374
  • Monoisotopic Mass: 172.063662883g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 187
  • 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: 1.7
  • Topological Polar Surface Area: 45.8?2

Experimental Properties

  • PSA: 45.75

Methanone, 1H-imidazol-4-ylphenyl- Pricemore >>

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