Cas no 61415-43-8 (Naphtho[2,3-f]phthalazine-1,4-dione, 7-bromo-2,3-dihydro-)

Naphtho[2,3-f]phthalazine-1,4-dione, 7-bromo-2,3-dihydro- structure
61415-43-8 structure
Product Name:Naphtho[2,3-f]phthalazine-1,4-dione, 7-bromo-2,3-dihydro-
CAS No:61415-43-8
MF:C16H9BrN2O2
MW:341.158862829208
CID:480345
PubChem ID:12307105
Update Time:2025-04-19

Naphtho[2,3-f]phthalazine-1,4-dione, 7-bromo-2,3-dihydro- Chemical and Physical Properties

Names and Identifiers

    • Naphtho[2,3-f]phthalazine-1,4-dione, 7-bromo-2,3-dihydro-
    • 7-bromo-2,3-dihydronaphtho[2,3-f]phthalazine-1,4-dione
    • CTK2E0517
    • DTXSID90486854
    • 61415-43-8
    • Inchi: 1S/C16H9BrN2O2/c17-14-9-4-2-1-3-8(9)7-12-10(14)5-6-11-13(12)16(21)19-18-15(11)20/h1-7H,(H,18,20)(H,19,21)
    • InChI Key: IHARWZSZLAAOAI-UHFFFAOYSA-N
    • SMILES: BrC1=C2C=CC=CC2=CC2=C3C(NNC(C3=CC=C21)=O)=O

Computed Properties

  • Exact Mass: 339.98477
  • Monoisotopic Mass: 339.98474g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 0
  • Complexity: 469
  • 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: 3.6
  • Topological Polar Surface Area: 58.2?2

Experimental Properties

  • PSA: 58.2
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