Cas no 30268-98-5 (Acetamide,N-(6-nitro-1-pyrenyl)-)

Acetamide,N-(6-nitro-1-pyrenyl)- structure
30268-98-5 structure
Product Name:Acetamide,N-(6-nitro-1-pyrenyl)-
CAS No:30268-98-5
MF:C18H12N2O3
MW:304.29948425293
CID:312112
PubChem ID:169138
Update Time:2025-04-19

Acetamide,N-(6-nitro-1-pyrenyl)- Chemical and Physical Properties

Names and Identifiers

    • Acetamide,N-(6-nitro-1-pyrenyl)-
    • N-(6-nitropyren-1-yl)acetamide
    • Acetamide, N-(6-nitro-1-pyrenyl)-
    • DTXSID60184355
    • 30268-98-5
    • 1-(N-Acetyl)amino-6-nitropyrene
    • N-(6-Nitro-1-pyrenyl)acetamide
    • Inchi: 1S/C18H12N2O3/c1-10(21)19-15-8-4-11-3-7-14-16(20(22)23)9-5-12-2-6-13(15)17(11)18(12)14/h2-9H,1H3,(H,19,21)
    • InChI Key: JYINWLDELFGNBG-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1=CC=C2C=CC3=C(C=CC4=CC=C1C2=C34)NC(C)=O)=O

Computed Properties

  • Exact Mass: 304.08486
  • Monoisotopic Mass: 304.08479225g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 1
  • Complexity: 503
  • 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: 4
  • Topological Polar Surface Area: 74.9?2

Experimental Properties

  • PSA: 72.24
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