Cas no 223513-47-1 (1-4-(azidomethyl)phenylethan-1-one)

1-4-(azidomethyl)phenylethan-1-one structure
223513-47-1 structure
Product Name:1-4-(azidomethyl)phenylethan-1-one
CAS No:223513-47-1
MF:C9H9N3O
MW:175.187261343002
CID:1407517
PubChem ID:23383588
Update Time:2025-10-05

1-4-(azidomethyl)phenylethan-1-one Chemical and Physical Properties

Names and Identifiers

    • Ethanone, 1-[4-(azidomethyl)phenyl]-
    • 1-4-(azidomethyl)phenylethan-1-one
    • 1-(4-Azidomethylphenyl)-ethanone
    • A1-09526
    • (4-azidomethylphenyl) methyl ketone
    • IIKMOGOALQUZKA-UHFFFAOYSA-N
    • EN300-1707019
    • 223513-47-1
    • 1-[4-(azidomethyl)phenyl]ethanone
    • (4-azidomethylphenyl)methyl ketone
    • 1-(4-Azidomethyl-phenyl)-ethanone
    • 1-[4-(AZIDOMETHYL)PHENYL]-ETHANONE
    • 1-[4-(azidomethyl)phenyl]ethan-1-one
    • SCHEMBL14270199
    • Inchi: 1S/C9H9N3O/c1-7(13)9-4-2-8(3-5-9)6-11-12-10/h2-5H,6H2,1H3
    • InChI Key: IIKMOGOALQUZKA-UHFFFAOYSA-N
    • SMILES: O=C(C)C1C=CC(CN=[N+]=[N-])=CC=1

Computed Properties

  • Exact Mass: 175.07467
  • Monoisotopic Mass: 175.074561919g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 225
  • 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: 2.5
  • Topological Polar Surface Area: 31.4?2

Experimental Properties

  • PSA: 65.83

1-4-(azidomethyl)phenylethan-1-one Pricemore >>

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